Vitas-M small molecule compound

(1'R,2'R)-1'-[(4-chlorophenyl)carbonyl]-2'-(3,4-dimethoxyphenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STK548615
SMILES COc1ccc(cc1OC)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

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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 C35H26ClNO5 MW 576.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26ClNO5/c1-41-27-17-13-22(19-28(27)42-2)30-31(32(38)21-11-15-23(36)16-12-21)37-26-10-6-3-7-20(26)14-18-29(37)35(30)33(39)24-8-4-5-9-25(24)34(35)40/h3-19,29-31H,1-2H3/t29?,30-,31+/m0/s1
InChIKey
HHSSFYBDZCTFJY-CJZYSFCQSA-N
Synonyms

(1R2R)1((4chlorophenyl)carbonyl)2(34dimethoxyphenyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)1(4chlorobenzoyl)2(34dimethoxyphenyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)1(4chlorobenzoyl)2(34dimethoxyphenyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
COC1=C(C=C(C=C1)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Cl)OC
COc1ccc(cc1OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)Cl)N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
COc1ccc(cc1OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)Cl)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC35H26ClNO5c14127171322(1928(27)422)3031(32(38)21111523(36)161221)37261063720(26)141829(37)35(30)33(39)24845925(24)34(35)40h3192931H12H3t29?3031+m0s1
ZINC000102626388
ZINC000102626392

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Available files

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