Vitas-M small molecule compound
4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL432026
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)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 C22H15ClN2O5 MW 422.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O5/c1-12-2-7-15(10-18(12)23)25-21(27)17(20(26)24-25)11-16-8-9-19(30-16)13-3-5-14(6-4-13)22(28)29/h2-11H,1H3,(H,24,26)(H,28,29)/b17-11-InChIKey
HDONSEHMFXYSQD-BOPFTXTBSA-NSynonyms
4(5((Z)(1(3chloro4methylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)N2)Cl
InChI=1SC22H15ClN2O5c1122715(1018(12)23)2521(27)17(20(26)2425)11168919(3016)133514(6413)22(28)29h211H1H3(H2426)(H2829)b1711
MFCD02326437
OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
ZINC000032099638
ZINC32099638
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