Vitas-M small molecule compound

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

Catalog ID
STK587021
SMILES COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3

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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 C36H30N2O5 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O5/c1-21-12-14-23(15-13-21)32(39)30-31(33(40)26-17-16-24(42-2)20-29(26)43-3)38-19-18-22-8-4-5-9-25(22)34(38)36(30)27-10-6-7-11-28(27)37-35(36)41/h4-20,30-31,34H,1-3H3,(H,37,41)/t30-,31-,34+,36+/m0/s1
InChIKey
NIVHIMSOWHCRJM-UOWMXVQPSA-N
Synonyms
1212261-96-5
(1S2S3S10bR)3(24dimethoxybenzoyl)2(4methylbenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((24dimethoxyphenyl)carbonyl)2((4methylphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(24dimethoxybenzoyl)2(4methylbenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212261965
CC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=C(C=C(C=C7)OC)OC
COc1ccc(c(c1)OC)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3
InChI=1SC36H30N2O5c121121423(151321)32(39)3031(33(40)26171624(422)2029(26)433)38191822845925(22)34(38)36(30)2710671128(27)3735(36)41h420303134H13H3(H3741)t303134+36+m0s1
MFCD18158312
ZINC000101671231
ZINC101671231

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Available files

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