Vitas-M small molecule compound
methyl 5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methyl-2-[(phenylcarbamothioyl)amino]thiophene-3-carboxylate
Catalog ID
STK391306
SMILES N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=S)Nc1ccccc1)\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 C18H17N3O2S2 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S2/c1-11(9-10-19)15-12(2)14(17(22)23-3)16(25-15)21-18(24)20-13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,20,21,24)/b11-9+InChIKey
XPRFULLUEMWZOF-PKNBQFBNSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2)C(=CC#N)C
InChI=1SC18H17N3O2S2c111(91019)1512(2)14(17(22)233)16(2515)2118(24)20137546813h49H13H3(H2202124)b119+
methyl5((1E)1cyanoprop1en2yl)4methyl2((phenylcarbamothioyl)amino)thiophene3carboxylate
METHYL5((1E)2CYANO1METHYLVINYL)4METHYL2(((PHENYLAMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5((E)1CYANOPROP1EN2YL)4METHYL2(PHENYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD01163759
N#CC=C(c1sc(c(c1C)C(=O)OC)NC(=S)Nc1ccccc1)C
ZINC000000834007
ZINC00834007
ZINC834007
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