Vitas-M small molecule compound
ethyl (2Z)-2-{amino[(phenylcarbonyl)amino]methylidene}-4-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3-oxobutanoate
Catalog ID
STK207139
SMILES CCOC(=O)/C(=C(\NC(=O)c1ccccc1)/N)/C(=O)CSCC(=O)Nc1ccc(cc1)C
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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 C23H25N3O5S MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5S/c1-3-31-23(30)20(21(24)26-22(29)16-7-5-4-6-8-16)18(27)13-32-14-19(28)25-17-11-9-15(2)10-12-17/h4-12H,3,13-14,24H2,1-2H3,(H,25,28)(H,26,29)/b21-20-InChIKey
CUPNANWQEMLKGM-MRCUWXFGSA-NSynonyms
CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)C(=O)CSCC(=O)NC2=CC=C(C=C2)C
CCOC(=O)C(=C(NC(=O)c1ccccc1)N)C(=O)CSCC(=O)Nc1ccc(cc1)C
ethyl(2Z)2(amino((phenylcarbonyl)amino)methylidene)4((2((4methylphenyl)amino)2oxoethyl)sulfanyl)3oxobutanoate
ethyl(2Z)2(amino(benzamido)methylidene)4(2(4methylanilino)2oxoethyl)sulfanyl3oxobutanoate
ETHYL(2Z)3AMINO2(2((N(4METHYLPHENYL)CARBAMOYL)METHYLTHIO)ACETYL)3(PHENYLCARBONYLAMINO)PROP2ENOATE
InChI=1SC23H25N3O5Sc133123(30)20(21(24)2622(29)167546816)18(27)13321419(28)251711915(2)101217h412H3131424H212H3(H2528)(H2629)b2120
MFCD06191770
ZINC000100430524
ZINC100430524
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