Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-(3,4-dimethylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL041899
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl)c1ccc(c(c1)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 C28H24ClN3O2S MW 502.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O2S/c1-17-7-9-22(13-18(17)2)32-27(34)23(26(33)30-28(32)35)15-19-8-10-25-20(14-19)11-12-31(25)16-21-5-3-4-6-24(21)29/h3-10,13-15H,11-12,16H2,1-2H3,(H,30,33,35)/b23-15+InChIKey
AOQSMAUXOYZGLG-HZHRSRAPSA-NSynonyms
713089-32-8(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(34DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)1(34dimethylphenyl)2sulfanylpyrimidine46(1H5H)dione
713089328
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=S)C
InChI=1SC28H24ClN3O2Sc1177922(1318(17)2)3227(34)23(26(33)3028(32)35)15198102520(1419)111231(25)1621534624(21)29h3101315H111216H212H3(H303335)b2315+
MFCD05725044
O=C1N=C(S)N(C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl)c1ccc(c(c1)C)C
ZINC000002403961
ZINC2403961
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