Vitas-M small molecule compound
methyl 6-methyl-2-{[(4-methyl-1H-pyrazol-1-yl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK456128
SMILES COC(=O)c1c(sc2c1CCC(C2)C)NC(=S)n1ncc(c1)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 C16H19N3O2S2 MW 349.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O2S2/c1-9-4-5-11-12(6-9)23-14(13(11)15(20)21-3)18-16(22)19-8-10(2)7-17-19/h7-9H,4-6H2,1-3H3,(H,18,22)InChIKey
HHKWPINJSKYWGK-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3C=C(C=N3)C
InChI=1SC16H19N3O2S2c19451112(69)2314(13(11)15(20)213)1816(22)19810(2)71719h79H46H213H3(H1822)
methyl6methyl2(((4methyl1Hpyrazol1yl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((4methylpyrazole1carbothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05989369
ZINC000000609197
ZINC000000609198
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