Vitas-M small molecule compound
methyl (4Z)-4-(4-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168444
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)OCC(=O)Nc1ccccc1Cl)CC(C)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 C26H27ClN2O5 MW 482.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O5/c1-16(2)14-29-17(3)24(26(32)33-4)20(25(29)31)13-18-9-11-19(12-10-18)34-15-23(30)28-22-8-6-5-7-21(22)27/h5-13,16H,14-15H2,1-4H3,(H,28,30)/b20-13-InChIKey
PWDUBRZDCNDFJV-MOSHPQCFSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl)C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)OCC(=O)Nc1ccccc1Cl)CC(C)C
InChI=1SC26H27ClN2O5c116(2)142917(3)24(26(32)334)20(25(29)31)131891119(121018)341523(30)2822865721(22)27h51316H1415H214H3(H2830)b2013
METHYL(4Z)4((4(2(2CHLOROANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(4(2((2CHLOROPHENYL)AMINO)2OXOETHOXY)BENZYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03711247
ZINC000001161154
ZINC01161154
ZINC1161154
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