Vitas-M small molecule compound
4-{(Z)-[1-(3-bromophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK160046
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1cccc(c1)Br
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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 C21H16BrNO5 MW 442.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrNO5/c1-12-18(21(27)28-2)17(10-13-6-8-14(9-7-13)20(25)26)19(24)23(12)16-5-3-4-15(22)11-16/h3-11H,1-2H3,(H,25,26)/b17-10-InChIKey
FHLYGDYSRTXJMB-YVLHZVERSA-NSynonyms
4((Z)(1(3BROMOPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(3BROMOPHENYL)4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC(=CC=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1cccc(c1)Br
InChI=1SC21H16BrNO5c11218(21(27)282)17(10136814(9713)20(25)26)19(24)23(12)1653415(22)1116h311H12H3(H2526)b1710
MFCD01987937
ZINC000002983492
ZINC2983492
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