Vitas-M small molecule compound

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

Catalog ID
STK574487
SMILES CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)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 C38H34N2O3 MW 566.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N2O3/c1-2-3-5-12-25-19-21-28(22-20-25)34(41)32-33(35(42)27-14-6-4-7-15-27)40-24-23-26-13-8-9-16-29(26)36(40)38(32)30-17-10-11-18-31(30)39-37(38)43/h4,6-11,13-24,32-33,36H,2-3,5,12H2,1H3,(H,39,43)/t32-,33-,36+,38+/m0/s1
InChIKey
UTDMCMGYNGMKFO-DWBUDPMASA-N
Synonyms
1212083-91-4
(1S2S3S10bR)3benzoyl2(4pentylbenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4pentylphenyl)carbonyl)3(phenylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3benzoyl2(4pentylbenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212083914
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CC=C7
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC38H34N2O3c12351225192128(222025)34(41)3233(35(42)27146471527)4024232613891629(26)36(40)38(32)301710111831(30)3937(38)43h46111324323336H23512H21H3(H3943)t323336+38+m0s1
MFCD18158057
ZINC000101672434
ZINC101672434

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Available files

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