Vitas-M small molecule compound
4-{(Z)-[1-(3,5-dichlorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK044870
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1cc(Cl)cc(c1)Cl
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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 C21H15Cl2NO5 MW 432.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2NO5/c1-11-18(21(28)29-2)17(7-12-3-5-13(6-4-12)20(26)27)19(25)24(11)16-9-14(22)8-15(23)10-16/h3-10H,1-2H3,(H,26,27)/b17-7-InChIKey
RUMVLQZQRDRARF-IDUWFGFVSA-NSynonyms
4((1(35DICHLOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(35DICHLOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(35DICHLOROPHENYL)4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC(=CC(=C3)Cl)Cl)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1cc(Cl)cc(c1)Cl
InChI=1SC21H15Cl2NO5c11118(21(28)292)17(7123513(6412)20(26)27)19(25)24(11)16914(22)815(23)1016h310H12H3(H2627)b177
MFCD03699266
STK044870
ZINC000002178321
ZINC2178321
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