Vitas-M small molecule compound
4-{(Z)-[1-(4-chlorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK168426
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1ccc(cc1)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 C21H16ClNO5 MW 397.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO5/c1-12-18(21(27)28-2)17(11-13-3-5-14(6-4-13)20(25)26)19(24)23(12)16-9-7-15(22)8-10-16/h3-11H,1-2H3,(H,25,26)/b17-11-InChIKey
YKLBUULVPFDCDT-BOPFTXTBSA-NSynonyms
4((Z)(1(4CHLOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(4CHLOROPHENYL)4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1ccc(cc1)Cl
InChI=1SC21H16ClNO5c11218(21(27)282)17(11133514(6413)20(25)26)19(24)23(12)169715(22)81016h311H12H3(H2526)b1711
MFCD03269739
ZINC000002089278
ZINC2089278
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