Vitas-M small molecule compound
ethyl 4-ethyl-2-({[4-(4-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK446371
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ccc(cc2)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)24-12-10-23(11-13-24)15-6-8-16(25)9-7-15/h6-9,25H,4-5,10-13H2,1-3H3,(H,22,28)InChIKey
PVIDSNPYGQADRQ-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)O)C
ethyl4ethyl2(((4(4hydroxyphenyl)piperazin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
ETHYL4ETHYL2(((4(4HYDROXYPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
ethyl4ethyl2((4(4hydroxyphenyl)piperazine1carbothioyl)amino)5methylthiophene3carboxylate
InChI=1SC21H27N3O3S2c141714(3)2919(18(17)20(26)2752)2221(28)24121023(111324)156816(25)9715h6925H451013H213H3(H2228)
MFCD04058702
ZINC000017098608
ZINC17098608
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