Vitas-M small molecule compound

(1'R,2'R)-7'-bromo-2'-(2,5-dimethoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STL040135
SMILES COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Br)OC

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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 C35H26BrNO5 MW 620.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26BrNO5/c1-41-23-14-16-28(42-2)26(19-23)30-31(32(38)20-8-4-3-5-9-20)37-27-15-13-22(36)18-21(27)12-17-29(37)35(30)33(39)24-10-6-7-11-25(24)34(35)40/h3-19,29-31H,1-2H3/t29?,30-,31+/m0/s1
InChIKey
WSYKWESDBVXSAI-CJZYSFCQSA-N
Synonyms
1216946-22-3
(1R2R)1benzoyl7bromo2(25dimethoxyphenyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)1benzoyl7bromo2(25dimethoxyphenyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
(1R2R)7bromo2(25dimethoxyphenyl)1(phenylcarbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
1216946223
COC1=CC(=C(C=C1)OC)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)Br)C(=O)C7=CC=CC=C7
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccccc2)N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Br)OC
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccccc2)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Br)OC
InChI=1SC35H26BrNO5c14123141628(422)26(1923)3031(32(38)208435920)3727151322(36)1821(27)121729(37)35(30)33(39)2410671125(24)34(35)40h3192931H12H3t29?3031+m0s1
ZINC000101672023
ZINC000101672026

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Available files

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