Vitas-M small molecule compound
methyl 4-{2,5-dimethyl-3-[(E)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK075076
SMILES COC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-10-8-13(9-15-16(22)20-18(25)19-15)11(2)21(10)14-6-4-12(5-7-14)17(23)24-3/h4-9H,1-3H3,(H2,19,20,22,25)/b15-9+InChIKey
BWXDHTMRNABGOU-OQLLNIDSSA-NSynonyms
(E)methyl4(25dimethyl3((5oxo2thioxoimidazolidin4ylidene)methyl)1Hpyrrol1yl)benzoate
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)NC(=S)N3
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1NC(=S)NC1=O
InChI=1SC18H17N3O3Sc110813(91516(22)2018(25)1915)11(2)21(10)146412(5714)17(23)243h49H13H3(H219202225)b159+
METHYL4(25DIMETHYL3((E)(5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((E)(5OXO2THIOXOIMIDAZOLIDIN4YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD02194092
STK075076
ZINC000000660680
ZINC00660680
ZINC660680
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