Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-[4-(propan-2-yl)phenyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL055298
SMILES CC(c1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C1=O)S)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 C29H26ClN3O2S MW 516.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O2S/c1-18(2)20-8-10-23(11-9-20)33-28(35)24(27(34)31-29(33)36)16-19-7-12-26-21(15-19)13-14-32(26)17-22-5-3-4-6-25(22)30/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,31,34,36)/b24-16+InChIKey
PFEDOVCQVDORKK-LFVJCYFKSA-NSynonyms
586999-04-4(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)1(4(propan2yl)phenyl)2sulfanylpyrimidine46(1H5H)dione
586999044
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=S
CC(c1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O)S)C
InChI=1SC29H26ClN3O2Sc118(2)2081023(11920)3328(35)24(27(34)3129(33)36)16197122621(1519)131432(26)1722534625(22)30h312151618H131417H212H3(H313436)b2416+
MFCD05730040
ZINC000002397571
ZINC2397571
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