Vitas-M small molecule compound
methyl (4Z)-4-(4-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}benzylidene)-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160833
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)OCC(=O)Nc1ccccc1Cl)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 C23H21ClN2O5 MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O5/c1-14-21(23(29)30-3)17(22(28)26(14)2)12-15-8-10-16(11-9-15)31-13-20(27)25-19-7-5-4-6-18(19)24/h4-12H,13H2,1-3H3,(H,25,27)/b17-12-InChIKey
DOMAGUIMKUFEAQ-ATVHPVEESA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl)C(=O)N1C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)OCC(=O)Nc1ccccc1Cl)C
InChI=1SC23H21ClN2O5c11421(23(29)303)17(22(28)26(14)2)121581016(11915)311320(27)2519754618(19)24h412H13H213H3(H2527)b1712
METHYL(4Z)4((4(2(2CHLOROANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)12DIMETHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(4(2((2CHLOROPHENYL)AMINO)2OXOETHOXY)BENZYLIDENE)12DIMETHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03711294
ZINC000001161557
ZINC01161557
ZINC1161557
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