Vitas-M small molecule compound
dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK164913
SMILES COC(=O)c1cc(NC(=S)N2CCN(CC2)Cc2ccc3c(c2)OCO3)cc(c1)C(=O)OC
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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 C23H25N3O6S MW 471.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O6S/c1-29-21(27)16-10-17(22(28)30-2)12-18(11-16)24-23(33)26-7-5-25(6-8-26)13-15-3-4-19-20(9-15)32-14-31-19/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,24,33)InChIKey
GOLAHSHLQRASSN-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC
DIMETHYL5(((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC23H25N3O6Sc12921(27)161017(22(28)302)1218(1116)2423(33)267525(6826)1315341920(915)32143119h34912H581314H212H3(H2433)
METHYL5(((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD05992243
ZINC000019859240
ZINC19859240
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