Vitas-M small molecule compound
diethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK457356
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)Cc2ccc3c(c2)OCO3)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 C24H29N3O6S2 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O6S2/c1-4-30-22(28)19-15(3)20(23(29)31-5-2)35-21(19)25-24(34)27-10-8-26(9-11-27)13-16-6-7-17-18(12-16)33-14-32-17/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H,25,34)InChIKey
UIVINHALXGSXOB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
diethyl5(((4(13benzodioxol5ylmethyl)piperazin1yl)carbonothioyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBOTHIOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2(((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H29N3O6S2c143022(28)1915(3)20(23(29)3152)3521(19)2524(34)2710826(91127)1316671718(1216)33143217h6712H458111314H213H3(H2534)
MFCD05991568
ZINC000016361118
ZINC16361118
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