Vitas-M small molecule compound

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

Catalog ID
STK552825
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

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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 C31H27ClN2O3 MW 511.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN2O3/c1-30(2,3)28(36)25-24(26(35)19-12-14-20(32)15-13-19)31(22-10-6-7-11-23(22)33-29(31)37)27-21-9-5-4-8-18(21)16-17-34(25)27/h4-17,24-25,27H,1-3H3,(H,33,37)/t24-,25-,27+,31+/m0/s1
InChIKey
PVORPPZFOCAFCM-NCRFVDKVSA-N
Synonyms
1176650-44-4
(1S2S3S10bR)2(4chlorobenzoyl)3pivaloyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4chlorophenyl)carbonyl)3(22dimethylpropanoyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4chlorobenzoyl)3(22dimethylpropanoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1176650444
CC(C)(C)C(=O)C1C(C2(C3N1C=CC4=CC=CC=C34)C5=CC=CC=C5NC2=O)C(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C(=O)(C@@H)1(C@H)(N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C
InChI=1SC31H27ClN2O3c130(23)28(36)2524(26(35)19121420(32)151319)31(2210671123(22)3329(31)37)2721954818(21)161734(25)27h417242527H13H3(H3337)t242527+31+m0s1
MFCD18242674
ZINC000049649936
ZINC49649936

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Available files

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