Vitas-M small molecule compound
methyl 4-(4-benzylpiperazin-1-yl)-3-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)benzoate
Catalog ID
STK195168
SMILES COC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc(cc1)C(C)C)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 C31H35N3O3 MW 497.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O3/c1-23(2)26-12-9-24(10-13-26)11-16-30(35)32-28-21-27(31(36)37-3)14-15-29(28)34-19-17-33(18-20-34)22-25-7-5-4-6-8-25/h4-16,21,23H,17-20,22H2,1-3H3,(H,32,35)/b16-11+InChIKey
UVMDGSCSVMCDLL-LFIBNONCSA-NSynonyms
CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4
COC(=O)c1ccc(c(c1)NC(=O)C=Cc1ccc(cc1)C(C)C)N1CCN(CC1)Cc1ccccc1
InChI=1SC31H35N3O3c123(2)2612924(101326)111630(35)32282127(31(36)373)141529(28)34191733(182034)22257546825h4162123H172022H213H3(H3235)b1611+
METHYL4(4BENZYLPIPERAZIN1YL)3(((2E)3(4(PROPAN2YL)PHENYL)PROP2ENOYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3(((E)3(4propan2ylphenyl)prop2enoyl)amino)benzoate
MFCD06665632
ZINC000057222771
ZINC57222771
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