Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-(thiophen-2-ylcarbonyl)-2'-[(3,4,5-trimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK582086
SMILES COc1c(OC)cc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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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 C34H28N2O6S MW 592.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N2O6S/c1-40-24-17-20(18-25(41-2)31(24)42-3)29(37)27-28(30(38)26-13-8-16-43-26)36-15-14-19-9-4-5-10-21(19)32(36)34(27)22-11-6-7-12-23(22)35-33(34)39/h4-18,27-28,32H,1-3H3,(H,35,39)/t27-,28-,32+,34+/m0/s1
InChIKey
CGURVRVZXNVNQD-CCVKJKLPSA-N
Synonyms
1212081-00-9
(1S2S3S10bR)3(thiophene2carbonyl)2(345trimethoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3(thiophen2ylcarbonyl)2((345trimethoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(thiophene2carbonyl)2(345trimethoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212081009
COC1=CC(=CC(=C1OC)OC)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CS7
COc1c(OC)cc(cc1OC)C(=O)(C@@H)1(C@@H)(C(=O)c2cccs2)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC34H28N2O6Sc140241720(1825(412)31(24)423)29(37)2728(30(38)26138164326)361514199451021(19)32(36)34(27)2211671223(22)3533(34)39h418272832H13H3(H3539)t272832+34+m0s1
MFCD18158217
ZINC000101673233
ZINC101673233

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Available files

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