Vitas-M small molecule compound
methyl (4Z)-1-(3-chloro-4-methylphenyl)-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)furan-2-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK031433
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCc1ccc(o1)/C=C\1/C(=C(N(C1=O)c1ccc(c(c1)Cl)C)C)C(=O)OC
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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 C31H28ClN3O8 MW 606.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O8/c1-5-42-30(39)19-7-9-20(10-8-19)34-28(37)27(36)33-16-23-13-12-22(43-23)15-24-26(31(40)41-4)18(3)35(29(24)38)21-11-6-17(2)25(32)14-21/h6-15H,5,16H2,1-4H3,(H,33,36)(H,34,37)/b24-15-InChIKey
HHVFEBWDYHSTEU-IWIPYMOSSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=C3C(=C(N(C3=O)C4=CC(=C(C=C4)C)Cl)C)C(=O)OC
CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCc1ccc(o1)C=C1C(=C(N(C1=O)c1ccc(c(c1)Cl)C)C)C(=O)OC
InChI=1SC31H28ClN3O8c154230(39)197920(10819)3428(37)27(36)331623131222(4323)152426(31(40)414)18(3)35(29(24)38)2111617(2)25(32)1421h615H516H214H3(H3336)(H3437)b2415
METHYL(4Z)1(3CHLORO4METHYLPHENYL)4((5(((((4(ETHOXYCARBONYL)PHENYL)AMINO)(OXO)ACETYL)AMINO)METHYL)FURAN2YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(3CHLORO4METHYLPHENYL)4((5(((2(4ETHOXYCARBONYLANILINO)2OXOACETYL)AMINO)METHYL)FURAN2YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD08050308
STK031433
ZINC000097958168
ZINC97958168
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