Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK583974
SMILES C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)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 C36H27ClN2O4 MW 587.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27ClN2O4/c1-2-21-43-29-18-10-6-14-25(29)32(40)30-31(33(41)24-13-5-8-16-27(24)37)39-20-19-22-11-3-4-12-23(22)34(39)36(30)26-15-7-9-17-28(26)38-35(36)42/h2-20,30-31,34H,1,21H2,(H,38,42)/t30-,31-,34+,36+/m0/s1
InChIKey
ZTORIHGFDGOHMY-UOWMXVQPSA-N
Synonyms
1212182-27-8
(1S2S3S10bR)2(2(allyloxy)benzoyl)3(2chlorobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((2chlorophenyl)carbonyl)2((2(prop2en1yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(2chlorobenzoyl)2(2prop2enoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212182278
C=CCOC1=CC=CC=C1C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CC=C7Cl
C=CCOc1ccccc1C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2Cl)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC36H27ClN2O4c12214329181061425(29)32(40)3031(33(41)2413581627(24)37)3920192211341223(22)34(39)36(30)2615791728(26)3835(36)42h220303134H121H2(H3842)t303134+36+m0s1
MFCD18158251
ZINC000101318691
ZINC101318691

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Available files

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