Vitas-M small molecule compound
2-{3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
Catalog ID
STK326864
SMILES N#Cc1c(C)c(sc1n1c(C)cc(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-10-7-14(8-15-17(25)22(5)20(27)23(6)18(15)26)12(3)24(10)19-16(9-21)11(2)13(4)28-19/h7-8H,1-6H3InChIKey
OTUUJBGCJYHAMQ-UHFFFAOYSA-NSynonyms
2(3((13dimethyl246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)45dimethylthiophene3carbonitrile
2(3((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)45DIMETHYLTHIOPHENE3CARBONITRILE
CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=C3C(=O)N(C(=O)N(C3=O)C)C
InChI=1SC20H20N4O3Sc110714(81517(25)22(5)20(27)23(6)18(15)26)12(3)24(10)1916(921)11(2)13(4)2819h78H16H3
MFCD03306199
ZINC000005959700
ZINC05959700
ZINC5959700
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