Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(4-methoxyphenyl)carbonyl]-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK591207
SMILES COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)CC(C)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 C38H34N2O4 MW 582.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N2O4/c1-23(2)22-24-12-14-26(15-13-24)34(41)32-33(35(42)27-16-18-28(44-3)19-17-27)40-21-20-25-8-4-5-9-29(25)36(40)38(32)30-10-6-7-11-31(30)39-37(38)43/h4-21,23,32-33,36H,22H2,1-3H3,(H,39,43)/t32-,33-,36+,38+/m0/s1
InChIKey
ZNGZJSUDQYPYSO-DWBUDPMASA-N
Synonyms
1212127-82-6
(1S2S3S10bR)2(4isobutylbenzoyl)3(4methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((4methoxyphenyl)carbonyl)2((4(2methylpropyl)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(4methoxybenzoyl)2(4(2methylpropyl)benzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212127826
CC(C)CC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)OC
COc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1)CC(C)C)C(=O)Nc1c2cccc1)cccc3
InChI=1SC38H34N2O4c123(2)2224121426(151324)34(41)3233(35(42)27161828(443)191727)40212025845929(25)36(40)38(32)3010671131(30)3937(38)43h42123323336H22H213H3(H3943)t323336+38+m0s1
MFCD18158392
ZINC000101672903
ZINC101672903

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Available files

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