Vitas-M small molecule compound

N~2~-{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}-L-alaninamide

Catalog ID
STL562021
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1cc(OC)c(c(c1)OC)OC)CC(=O)N[C@H](C(=O)N)C)Cl

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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 C31H35ClN2O11 MW 647.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35ClN2O11/c1-13-8-17(35)23(28(37)31(13)29(38)24-18(40-3)12-19(41-4)25(32)27(24)45-31)16(11-22(36)34-14(2)30(33)39)15-9-20(42-5)26(44-7)21(10-15)43-6/h9-10,12-14,16,37H,8,11H2,1-7H3,(H2,33,39)(H,34,36)/t13-,14+,16?,31+/m1/s1
InChIKey
KORUMGQTBZARHI-HOLQMIDRSA-N
Synonyms

145705373
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1cc(OC)c(c(c1)OC)OC)CC(=O)N(C@H)(C(=O)N)C)Cl
InChI=1SC31H35ClN2O11c113817(35)23(28(37)31(13)29(38)2418(403)1219(414)25(32)27(24)4531)16(1122(36)3414(2)30(33)39)15920(425)26(447)21(1015)436h91012141637H811H217H3(H23339)(H3436)t1314+16?31+m1s1
MFCD32651075
N((2S)1amino1oxopropan2yl)3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanamide
N((S)1amino1oxopropan2yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N~2~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanoyl)Lalaninamide
N2(3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(345TRIMETHOXYPHENYL)PROPANOYL)LALANINAMIDE
ZINC001848443360
ZINC001848443361

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Available files

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