Vitas-M small molecule compound
ethyl 4-ethyl-2-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK446346
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)O)sc(c1CC)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/c1-4-17-14(3)29-19(18(17)20(26)27-5-2)22-21(28)24-11-9-23(10-12-24)15-7-6-8-16(25)13-15/h6-8,13,25H,4-5,9-12H2,1-3H3,(H,22,28)InChIKey
RYSLWUFEGUFCOK-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C
ethyl4ethyl2(((4(3hydroxyphenyl)piperazin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
ETHYL4ETHYL2(((4(3HYDROXYPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
ethyl4ethyl2((4(3hydroxyphenyl)piperazine1carbothioyl)amino)5methylthiophene3carboxylate
InChI=1SC21H27N3O3S2c141714(3)2919(18(17)20(26)2752)2221(28)2411923(101224)1576816(25)1315h681325H45912H213H3(H2228)
MFCD04058657
ZINC000017098607
ZINC17098607
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