Vitas-M small molecule compound
4-{(Z)-[4-(methoxycarbonyl)-5-methyl-2-oxo-1-(pyridin-3-ylmethyl)-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK160775
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)Cc1cccnc1
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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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-13-18(21(27)28-2)17(10-14-5-7-16(8-6-14)20(25)26)19(24)23(13)12-15-4-3-9-22-11-15/h3-11H,12H2,1-2H3,(H,25,26)/b17-10-InChIKey
DTAPSFPDOOIIOV-YVLHZVERSA-NSynonyms
4((Z)(4(METHOXYCARBONYL)5METHYL2OXO1(PYRIDIN3YLMETHYL)12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL5METHYL2OXO1(PYRIDIN1IUM3YLMETHYL)PYRROL3YLIDENE)METHYL)BENZOATE
4((Z)(4METHOXYCARBONYL5METHYL2OXO1(PYRIDIN3YLMETHYL)PYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CC3=CN=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)Cc1cccnc1
InChI=1SC21H18N2O5c11318(21(27)282)17(10145716(8614)20(25)26)19(24)23(13)1215439221115h311H12H212H3(H2526)b1710
MFCD03445188
ZINC000000780561
ZINC780561
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