Vitas-M small molecule compound
methyl 4-(4-benzylpiperazin-1-yl)-3-({[(2,5-dichlorophenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK205693
SMILES COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1cc(Cl)ccc1Cl)N1CCN(CC1)Cc1ccccc1
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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 C27H26Cl2N4O3S MW 557.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N4O3S/c1-36-26(35)19-7-10-24(33-13-11-32(12-14-33)17-18-5-3-2-4-6-18)23(15-19)30-27(37)31-25(34)21-16-20(28)8-9-22(21)29/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31,34,37)InChIKey
CJXWGMSFJJDUAM-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)Cl
InChI=1SC27H26Cl2N4O3Sc13626(35)1971024(33131132(121433)17185324618)23(1519)3027(37)3125(34)211620(28)8922(21)29h2101516H111417H21H3(H230313437)
METHYL4(4BENZYLPIPERAZIN1YL)3((((25DICHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((25dichlorobenzoyl)carbamothioylamino)benzoate
MFCD06666747
ZINC000097948210
ZINC97948210
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