Vitas-M small molecule compound
methyl 2-[(azepan-1-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK333749
SMILES COC(=O)c1c(NC(=S)N2CCCCCC2)sc(c1c1ccccc1)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 C20H24N2O2S2 MW 388.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O2S2/c1-14-16(15-10-6-5-7-11-15)17(19(23)24-2)18(26-14)21-20(25)22-12-8-3-4-9-13-22/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,21,25)InChIKey
QGILIRFKLSBBHP-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC)C3=CC=CC=C3
InChI=1SC20H24N2O2S2c11416(15106571115)17(19(23)242)18(2614)2120(25)221283491322h571011H34891213H212H3(H2125)
METHYL2((AZAPERHYDROEPINYLTHIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
methyl2((azepan1ylcarbonothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2(AZEPANE1CARBOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03944424
ZINC000006824917
ZINC06824917
ZINC6824917
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