Vitas-M small molecule compound
2-(3-{(E)-[1-(4-chlorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL043349
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O
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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 C26H21ClN4O3S MW 505.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O3S/c1-14-11-16(15(2)30(14)25-21(13-28)19-5-3-4-6-22(19)35-25)12-20-23(32)29-26(34)31(24(20)33)18-9-7-17(27)8-10-18/h7-12H,3-6H2,1-2H3,(H,29,32,34)/b20-12+InChIKey
YDANSSWIMIOGAO-UDWIEESQSA-NSynonyms
2(3((E)(1(4chlorophenyl)2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
MFCD03800208
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O
ZINC000002298692
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