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N~3~-{3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(3,4,5-trimethoxyphenyl)propanoyl}-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-beta-alaninamide

Catalog ID
STL562111
SMILES COc1c(OC)cc(cc1OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)NCc1cc(=O)n(c(=O)n1C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C38H43ClN4O13 MW 799.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43ClN4O13/c1-18-11-22(44)30(35(48)38(18)36(49)31-23(51-4)16-24(52-5)32(39)34(31)56-38)21(19-12-25(53-6)33(55-8)26(13-19)54-7)15-28(46)40-10-9-27(45)41-17-20-14-29(47)43(3)37(50)42(20)2/h12-14,16,18,21,48H,9-11,15,17H2,1-8H3,(H,40,46)(H,41,45)
InChIKey
RVDNPLLAKYUXBI-QFQUDPCISA-N
Synonyms

145705462
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(3(((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)amino)3oxopropyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(3((13dimethyl26dioxopyrimidin4yl)methylamino)3oxopropyl)3(345trimethoxyphenyl)propanamide
COc1c(OC)cc(cc1OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)NCc1cc(=O)n(c(=O)n1C)C
InChI=1SC38H43ClN4O13c1181122(44)30(35(48)38(18)36(49)3123(514)1624(525)32(39)34(31)5638)21(191225(536)33(558)26(1319)547)1528(46)4010927(45)4117201429(47)43(3)37(50)42(20)2h121416182148H9111517H218H3(H4046)(H4145)t1821?38+m1s1
MFCD32651165
N~3~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanoyl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)betaalaninamide
YDROPYRIMIDIN4YL)METHYL)BETAALANINAMIDE
ZINC001848443441
ZINC001848443442

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Available files

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