Vitas-M small molecule compound
methyl 2-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436989
SMILES COC(=O)c1c(NC(=S)Nn2c(C)nnc2C)sc2c1CCC(C2)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 C16H21N5O2S2 MW 379.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5O2S2/c1-8-5-6-11-12(7-8)25-14(13(11)15(22)23-4)17-16(24)20-21-9(2)18-19-10(21)3/h8H,5-7H2,1-4H3,(H2,17,20,24)InChIKey
JCXUSNIXBYMIKO-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NN3C(=NN=C3C)C
InChI=1SC16H21N5O2S2c18561112(78)2514(13(11)15(22)234)1716(24)20219(2)181910(21)3h8H57H214H3(H2172024)
methyl2(((35dimethyl4H124triazol4yl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((35dimethyl124triazol4yl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945297
ZINC000006234718
ZINC000006234719
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