Vitas-M small molecule compound
methyl 4-ethyl-2-({[4-(4-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK496298
SMILES COc1ccc(cc1)N1CCN(CC1)C(=S)Nc1sc(c(c1C(=O)OC)CC)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 C21H27N3O3S2 MW 433.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S2/c1-5-17-14(2)29-19(18(17)20(25)27-4)22-21(28)24-12-10-23(11-13-24)15-6-8-16(26-3)9-7-15/h6-9H,5,10-13H2,1-4H3,(H,22,28)InChIKey
OGORACNLGNMBOS-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC)C
InChI=1SC21H27N3O3S2c151714(2)2919(18(17)20(25)274)2221(28)24121023(111324)156816(263)9715h69H51013H214H3(H2228)
methyl4ethyl2(((4(4methoxyphenyl)piperazin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
methyl4ethyl2((4(4methoxyphenyl)piperazine1carbothioyl)amino)5methylthiophene3carboxylate
MFCD05066016
ZINC000013828996
ZINC13828996
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