Vitas-M small molecule compound
methyl 2-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK187422
SMILES COC(=O)c1ccccc1n1c(C)cc(c1C)C=C1C(=O)NC(=S)NC1=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 C19H17N3O4S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4S/c1-10-8-12(9-14-16(23)20-19(27)21-17(14)24)11(2)22(10)15-7-5-4-6-13(15)18(25)26-3/h4-9H,1-3H3,(H2,20,21,23,24,27)InChIKey
AWNGCQBAONPSEY-UHFFFAOYSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)NC(=S)NC3=O
InChI=1SC19H17N3O4Sc110812(91416(23)2019(27)2117(14)24)11(2)22(10)15754613(15)18(25)263h49H13H3(H22021232427)
METHYL2(3((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL2(3((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD03269521
ZINC000000660036
ZINC00660036
ZINC660036
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