Vitas-M small molecule compound
propan-2-yl 4-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL431876
SMILES CC(OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)C)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 C25H21ClN2O5 MW 464.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5/c1-14(2)32-25(31)17-7-5-16(6-8-17)22-11-10-19(33-22)13-20-23(29)27-28(24(20)30)18-9-4-15(3)21(26)12-18/h4-14H,1-3H3,(H,27,29)/b20-13-InChIKey
NQYZSEQVRUQNIZ-MOSHPQCFSA-NSynonyms
CC(OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)C)C
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OC(C)C)C(=O)N2)Cl
InChI=1SC25H21ClN2O5c114(2)3225(31)177516(6817)22111019(3322)132023(29)2728(24(20)30)189415(3)21(26)1218h414H13H3(H2729)b2013
ISOPROPYL4(5((1(3CHLORO4METHYLPHENYL)35DIOXO4PYRAZOLIDINYLIDENE)METHYL)2FURYL)BENZOATE
MFCD01363757
propan2yl4(5((Z)(1(3chloro4methylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
ZINC000008426190
ZINC08426190
ZINC8426190
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