Vitas-M small molecule compound
methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STK038363
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=S)NC(=O)c1cccc(c1)Br
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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 C16H12BrN3O3S2 MW 438.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O3S2/c1-8-11(7-18)14(25-12(8)15(22)23-2)20-16(24)19-13(21)9-4-3-5-10(17)6-9/h3-6H,1-2H3,(H2,19,20,21,24)InChIKey
DJJPELIJBGWYBG-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC
COC(=O)c1sc(c(c1C)C#N)NC(=S)NC(=O)c1cccc(c1)Br
InChI=1SC16H12BrN3O3S2c1811(718)14(2512(8)15(22)232)2016(24)1913(21)943510(17)69h36H12H3(H219202124)
METHYL5((((3BROMOPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((((3BROMOPHENYL)CARBONYLAMINO)THIOXOMETHYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((3BROMOBENZOYL)CARBAMOTHIOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD03031425
STK038363
ZINC000008722633
ZINC08722633
ZINC8722633
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