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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-[4-(methylsulfanyl)phenyl]-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]propanamide

Catalog ID
STL552014
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCCCc1nnc2n1cccc2

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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 C37H39ClN4O7S MW 719.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39ClN4O7S/c1-21-18-25(43)31(35(45)37(21)36(46)32-26(47-2)20-27(48-3)33(38)34(32)49-37)24(22-12-14-23(50-4)15-13-22)19-30(44)39-16-8-5-6-10-28-40-41-29-11-7-9-17-42(28)29/h7,9,11-15,17,20-21,24,45H,5-6,8,10,16,18-19H2,1-4H3,(H,39,44)/t21-,24?,
InChIKey
XEPCXYUOPJMQMX-ASGIZMFVSA-N
Synonyms

135640322
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(5((124)triazolo(43a)pyridin3yl)pentyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N(5((124)TRIAZOLO(43A)PYRIDIN3YL)PENTYL)PROPANA
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(5((124)triazolo(43a)pyridin3yl)pentyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCCCc1nnc2n1cccc2
InChI=1SC37H39ClN4O7Sc1211825(43)31(35(45)37(21)36(46)3226(472)2027(483)33(38)34(32)4937)24(22121423(504)151322)1930(44)3916856102840412911791742(28)29h7911151720212445H56810161819H214H3(H3944)t2124?37+m1s1
N(5((124)triazolo(43a)pyridin3yl)pentyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547139653
ZINC001547139654

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Available files

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