Vitas-M small molecule compound
4-{(Z)-[4-(methoxycarbonyl)-5-methyl-1-(3-methylphenyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK161664
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1cccc(c1)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 C22H19NO5 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO5/c1-13-5-4-6-17(11-13)23-14(2)19(22(27)28-3)18(20(23)24)12-15-7-9-16(10-8-15)21(25)26/h4-12H,1-3H3,(H,25,26)/b18-12-InChIKey
PFRHTNIOHQELCG-PDGQHHTCSA-NSynonyms
4((4(METHOXYCARBONYL)5METHYL1(3METHYLPHENYL)2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4(METHOXYCARBONYL)5METHYL1(3METHYLPHENYL)2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL5METHYL1(3METHYLPHENYL)2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=CC(=CC=C1)N2C(=C(C(=CC3=CC=C(C=C3)C(=O)O)C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1cccc(c1)C
InChI=1SC22H19NO5c11354617(1113)2314(2)19(22(27)283)18(20(23)24)12157916(10815)21(25)26h412H13H3(H2526)b1812
MFCD02182935
ZINC000002174034
ZINC2174034
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