Vitas-M small molecule compound
2'-(3,4-dimethoxyphenyl)-1'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Catalog ID
STK567353
SMILES COc1ccc(cc1OC)C1C(C(=O)c2ccc(cc2)CC(C)C)N2C(C31C(=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 C39H35NO5 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35NO5/c1-23(2)21-24-13-15-26(16-14-24)36(41)35-34(27-17-19-31(44-3)32(22-27)45-4)39(37(42)28-10-6-7-11-29(28)38(39)43)33-20-18-25-9-5-8-12-30(25)40(33)35/h5-20,22-23,33-35H,21H2,1-4H3InChIKey
MZCSMJUIGDVSSF-UHFFFAOYSA-NSynonyms
(1R2R)2(34dimethoxyphenyl)1(4isobutylbenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
2(34dimethoxyphenyl)1((4(2methylpropyl)phenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
2(34DIMETHOXYPHENYL)1(4(2METHYLPROPYL)BENZOYL)SPIRO(23ADIHYDRO1HPYRROLO(12A)QUINOLINE32INDENE)13DIONE
CC(C)CC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC(=C(C=C7)OC)OC
COc1ccc(cc1OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)CC(C)C)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC39H35NO5c123(2)2124131526(161424)36(41)3534(27171931(443)32(2227)454)39(37(42)2810671129(28)38(39)43)332018259581230(25)40(33)35h52022233335H21H214H3
MFCD05733038
ZINC000102547070
ZINC000229930451
Check stock
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Check stock on Vitas-MAvailable files
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