Vitas-M small molecule compound

methyl (4Z)-4-(4-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK396987
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)OCC(=O)Nc1cccc(c1)Cl)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)22(25(29)31)12-18-8-10-21(11-9-18)34-15-23(30)28-20-7-5-6-19(27)13-20/h5-13,16H,14-15H2,1-4H3,(H,28,30)/b22-12-
InChIKey
YTWUFFJHMUAVNK-UUYOSTAYSA-N
Synonyms

CC1=C(C(=CC2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)Cl)C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)Cl)CC(C)C
InChI=1SC26H27ClN2O5c116(2)142917(3)24(26(32)334)22(25(29)31)121881021(11918)341523(30)282075619(27)1320h51316H1415H214H3(H2830)b2212
METHYL(4Z)4((4(2(3CHLOROANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
methyl(4Z)4(4(2((3chlorophenyl)amino)2oxoethoxy)benzylidene)2methyl1(2methylpropyl)5oxo45dihydro1Hpyrrole3carboxylate
METHYL3((4((N(3CHLOROPHENYL)CARBAMOYL)METHOXY)PHENYL)METHYLENE)5METHYL1(2METHYLPROPYL)2OXOAZOLINE4CARBOXYLATE
METHYL4(4(2(3CHLOROANILINO)2OXOETHOXY)BENZYLIDENE)1ISOBUTYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02629797
ZINC000000654436
ZINC00654436
ZINC654436

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.