Vitas-M small molecule compound

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

Catalog ID
STK580105
SMILES COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)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 C33H25N3O4 MW 527.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N3O4/c1-40-22-15-13-21(14-16-22)29(37)27-28(30(38)26-12-6-7-18-34-26)36-19-17-20-8-2-3-9-23(20)31(36)33(27)24-10-4-5-11-25(24)35-32(33)39/h2-19,27-28,31H,1H3,(H,35,39)/t27-,28-,31+,33+/m0/s1
InChIKey
TWYXROVGDLNKKC-TVNXZVQQSA-N
Synonyms
1177477-92-7
(1S2S3S10bR)2(4methoxybenzoyl)3picolinoyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4methoxyphenyl)carbonyl)3(pyridin2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4methoxybenzoyl)3(pyridine2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177477927
COC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CC=N7
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccn2)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC33H25N3O4c14022151321(141622)29(37)2728(30(38)261267183426)36191720823923(20)31(36)33(27)2410451125(24)3532(33)39h219272831H1H3(H3539)t272831+33+m0s1
MFCD18245640
ZINC000101361337
ZINC101361337

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Available files

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