Vitas-M small molecule compound
(5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK698273
SMILES Clc1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)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 C29H21ClN2O3S MW 513.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O3S/c1-18-8-13-23(16-19(18)2)32-28(34)25(27(33)31(29(32)36)22-6-4-3-5-7-22)17-24-14-15-26(35-24)20-9-11-21(30)12-10-20/h3-17H,1-2H3/b25-17+InChIKey
DCKOUNDOMQOFTK-KOEQRZSOSA-NSynonyms
(5E)5((5(4CHLOROPHENYL)FURAN2YL)METHYLIDENE)1(34DIMETHYLPHENYL)3PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((5(4chlorophenyl)furan2yl)methylidene)1(34dimethylphenyl)3phenyl2thioxodihydropyrimidine46(1H5H)dione
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C(=O)N(C2=S)C5=CC=CC=C5)C
Clc1ccc(cc1)c1ccc(o1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC29H21ClN2O3Sc11881323(1619(18)2)3228(34)25(27(33)31(29(32)36)226435722)1724141526(3524)2091121(30)121020h317H12H3b2517+
MFCD02995951
ZINC000002061077
ZINC02061077
ZINC2061077
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