Vitas-M small molecule compound

dimethyl 2-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate

Catalog ID
STK206913
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1cc(Cl)ccc1C)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 C22H24ClN3O4S MW 461.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O4S/c1-14-4-6-16(23)13-19(14)25-8-10-26(11-9-25)22(31)24-18-12-15(20(27)29-2)5-7-17(18)21(28)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,31)
InChIKey
IDTXCLDTHYIUOV-UHFFFAOYSA-N
Synonyms
717875-12-2
717875122
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC
DIMETHYL2(((4(5CHLORO2METHYLPHENYL)1PIPERAZINYL)CARBONOTHIOYL)AMINO)TEREPHTHALATE
DIMETHYL2(((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((4(5CHLORO2METHYLPHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(4(5CHLORO2METHYLPHENYL)PIPERAZINE1CARBOTHIOAMIDO)TEREPHTHALATE
InChI=1SC22H24ClN3O4Sc1144616(23)1319(14)2581026(11925)22(31)24181215(20(27)292)5717(18)21(28)303h471213H811H213H3(H2431)
METHYL3(((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)4(METHOXYCARBONYL)BENZOATE
MFCD04444848
ZINC000002196145
ZINC02196145
ZINC2196145

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Available files

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