Vitas-M small molecule compound
dimethyl 5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK164816
SMILES COC(=O)c1cc(NC(=S)N2CCN(CC2)c2cccc(c2)O)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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-28-19(26)14-10-15(20(27)29-2)12-16(11-14)22-21(30)24-8-6-23(7-9-24)17-4-3-5-18(25)13-17/h3-5,10-13,25H,6-9H2,1-2H3,(H,22,30)InChIKey
ODOGTQDCOCDXGE-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C(=O)OC
DIMETHYL5(((4(3HYDROXYPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(((4(3HYDROXYPHENYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((4(3HYDROXYPHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC21H23N3O5Sc12819(26)141015(20(27)292)1216(1114)2221(30)248623(7924)1743518(25)1317h35101325H69H212H3(H2230)
MFCD05992336
ZINC000002363065
ZINC02363065
ZINC2363065
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