Vitas-M small molecule compound
methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK437290
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)sc(c1C)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 C17H17N3O5S2 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S2/c1-8-9(2)27-15(13(8)16(22)23-3)18-17(26)20-19-14(21)10-4-5-11-12(6-10)25-7-24-11/h4-6H,7H2,1-3H3,(H,19,21)(H2,18,20,26)InChIKey
ACOFCPAVBUYMKN-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C
InChI=1SC17H17N3O5S2c189(2)2715(13(8)16(22)233)1817(26)201914(21)10451112(610)2572411h46H7H213H3(H1921)(H2182026)
METHYL2((((2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl2(((2(13benzodioxol5ylcarbonyl)hydrazinyl)carbonothioyl)amino)45dimethylthiophene3carboxylate
METHYL2((13BENZODIOXOLE5CARBONYLAMINO)CARBAMOTHIOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD03944883
ZINC000017087686
ZINC17087686
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