Vitas-M small molecule compound
dimethyl 5-{[(1,3-benzodioxol-5-ylmethyl)carbamothioyl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK164893
SMILES COC(=O)c1cc(NC(=S)NCc2ccc3c(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 C19H18N2O6S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6S/c1-24-17(22)12-6-13(18(23)25-2)8-14(7-12)21-19(28)20-9-11-3-4-15-16(5-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H2,20,21,28)InChIKey
QZEHMPNPXVGWHR-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC
DIMETHYL5(((13BENZODIOXOL5YLMETHYL)CARBAMOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(13BENZODIOXOL5YLMETHYLCARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC19H18N2O6Sc12417(22)12613(18(23)252)814(712)2119(28)20911341516(511)27102615h38H910H212H3(H2202128)
METHYL5((((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)THIOXOMETHYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD05993684
ZINC000001122753
ZINC01122753
ZINC1122753
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