Vitas-M small molecule compound
5-(5-{(Z)-[1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Catalog ID
STL431842
SMILES Brc1cccc(c1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O
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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 C21H12BrClN2O5 MW 487.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrClN2O5/c22-12-2-1-3-13(9-12)25-20(27)16(19(26)24-25)10-14-5-7-18(30-14)11-4-6-17(23)15(8-11)21(28)29/h1-10H,(H,24,26)(H,28,29)/b16-10-InChIKey
MNEKPNYNUBVLFI-YBEGLDIGSA-NSynonyms
5(5((1(3BROMOPHENYL)35DIOXO(12DIAZOLIDIN4YLIDENE))METHYL)(2FURYL))2CHLOROBENZOICACID
5(5((Z)(1(3bromophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)2chlorobenzoicacid
Brc1cccc(c1)N1NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C1=O
C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)N2
InChI=1SC21H12BrClN2O5c221221313(912)2520(27)16(19(26)2425)10145718(3014)114617(23)15(811)21(28)29h110H(H2426)(H2829)b1610
MFCD01158276
ZINC000012428630
ZINC12428630
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