Vitas-M small molecule compound
methyl 6-[(azepan-1-ylcarbonothioyl)amino]-3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK443476
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCCCCC1
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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 C17H19ClN2O2S2 MW 382.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN2O2S2/c1-22-16(21)15-14(18)12-7-6-11(10-13(12)24-15)19-17(23)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3,(H,19,23)InChIKey
QILGWKUFXUMUMH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCCCC3)Cl
InChI=1SC17H19ClN2O2S2c12216(21)1514(18)127611(1013(12)2415)1917(23)2084235920h6710H2589H21H3(H1923)
METHYL6((AZAPERHYDROEPINYLTHIOXOMETHYL)AMINO)3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
methyl6((azepan1ylcarbonothioyl)amino)3chloro1benzothiophene2carboxylate
methyl6(azepane1carbothioylamino)3chloro1benzothiophene2carboxylate
MFCD04054758
ZINC000006397323
ZINC06397323
ZINC6397323
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