Vitas-M small molecule compound
dimethyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK868380
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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)16-4-5-17(22(28)30-2)18(12-16)24-23(33)26-9-7-25(8-10-26)13-15-3-6-19-20(11-15)32-14-31-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,33)InChIKey
CTHMUPDYTHQZGO-UHFFFAOYSA-NSynonyms
831232-79-2831232792
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
dimethyl2(((4(13benzodioxol5ylmethyl)piperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
DIMETHYL2((4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
dimethyl2(4(benzo(d)(13)dioxol5ylmethyl)piperazine1carbothioamido)terephthalate
InChI=1SC23H25N3O6Sc12921(27)164517(22(28)302)18(1216)2423(33)269725(81026)1315361920(1115)32143119h361112H7101314H212H3(H2433)
METHYL3(((4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)4(METHOXYCARBONYL)BENZOATE
MFCD06006445
ZINC000020220773
ZINC20220773
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