Vitas-M small molecule compound
diethyl 3-methyl-5-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STK456733
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)C(=O)C2CCCO2)sc(c1C)C(=O)OCC
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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 C21H29N3O6S2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O6S2/c1-4-28-19(26)15-13(3)16(20(27)29-5-2)32-17(15)22-21(31)24-10-8-23(9-11-24)18(25)14-7-6-12-30-14/h14H,4-12H2,1-3H3,(H,22,31)InChIKey
MKEYLDWRBPRREG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C(=O)C3CCCO3
diethyl3methyl5(((4(tetrahydrofuran2ylcarbonyl)piperazin1yl)carbonothioyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((4(OXOLANE2CARBONYL)PIPERAZINE1CARBOTHIOYL)AMINO)THIOPHENE24DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)4METHYL2(((4(OXOLAN2YLCARBONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H29N3O6S2c142819(26)1513(3)16(20(27)2952)3217(15)2221(31)2410823(91124)18(25)1476123014h14H412H213H3(H2231)
MFCD05138871
ZINC000016345605
ZINC000016345608
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