Vitas-M small molecule compound
propan-2-yl 2-chloro-5-(5-{(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL443445
SMILES CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)C)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 C26H23ClN2O4 MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4/c1-15(2)32-26(31)22-13-18(7-11-23(22)27)24-12-10-20(33-24)14-21-17(4)28-29(25(21)30)19-8-5-16(3)6-9-19/h5-15H,1-4H3/b21-14+InChIKey
IDRRQAXPGFGPPW-KGENOOAVSA-NSynonyms
CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(cc1)C)C)C
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OC(C)C)C(=N2)C
InChI=1SC26H23ClN2O4c115(2)3226(31)221318(71123(22)27)24121020(3324)142117(4)2829(25(21)30)198516(3)6919h515H14H3b2114+
METHYLETHYL2CHLORO5(5((3METHYL1(4METHYLPHENYL)5OXO(12DIAZOLIN4YLIDENE))METHYL)(2FURYL))BENZOATE
MFCD01157811
propan2yl2chloro5(5((E)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
PROPAN2YL2CHLORO5(5((E)(3METHYL1(4METHYLPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000008694350
ZINC08694350
ZINC8694350
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