Vitas-M small molecule compound
methyl (4Z)-4-(4-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165142
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)OCC(=O)Nc1cccc(c1)Cl)CCc1ccccc1
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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 C30H27ClN2O5 MW 531.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN2O5/c1-20-28(30(36)37-2)26(29(35)33(20)16-15-21-7-4-3-5-8-21)17-22-11-13-25(14-12-22)38-19-27(34)32-24-10-6-9-23(31)18-24/h3-14,17-18H,15-16,19H2,1-2H3,(H,32,34)/b26-17-InChIKey
OPMOTDUZBVOTEL-ONUIUJJFSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)Cl)C(=O)N1CCC4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)Cl)CCc1ccccc1
InChI=1SC30H27ClN2O5c12028(30(36)372)26(29(35)33(20)1615217435821)1722111325(141222)381927(34)3224106923(31)1824h3141718H151619H212H3(H3234)b2617
methyl(4Z)4((4(2(3chloroanilino)2oxoethoxy)phenyl)methylidene)2methyl5oxo1(2phenylethyl)pyrrole3carboxylate
METHYL(4Z)4((4(2(3CHLOROANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL5OXO1PHENETHYLPYRROLE3CARBOXYLATE
METHYL(4Z)4(4(2((3CHLOROPHENYL)AMINO)2OXOETHOXY)BENZYLIDENE)2METHYL5OXO1(2PHENYLETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD05039633
ZINC000097960406
ZINC97960406
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