Vitas-M small molecule compound
methyl 4-(4-benzylpiperazin-1-yl)-3-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK205694
SMILES COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1ccccc1C)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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-20-8-6-7-11-23(20)26(33)30-28(36)29-24-18-22(27(34)35-2)12-13-25(24)32-16-14-31(15-17-32)19-21-9-4-3-5-10-21/h3-13,18H,14-17,19H2,1-2H3,(H2,29,30,33,36)InChIKey
UKDFLIHYCWMOCX-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC28H30N4O3Sc1208671123(20)26(33)3028(36)29241822(27(34)352)121325(24)32161431(151732)192194351021h31318H141719H212H3(H229303336)
METHYL4(4BENZYLPIPERAZIN1YL)3((((2METHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((2methylbenzoyl)carbamothioylamino)benzoate
MFCD06666748
ZINC000057233534
ZINC57233534
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