Vitas-M small molecule compound
3-benzyl-7-{[(2Z)-2-(4-chlorophenyl)-2-(hydroxyimino)ethyl]oxy}-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STK833656
SMILES O/N=C(/c1ccc(cc1)Cl)\COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
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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 C26H22ClNO4 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO4/c1-16-21-12-13-24(31-15-23(28-30)19-8-10-20(27)11-9-19)17(2)25(21)32-26(29)22(16)14-18-6-4-3-5-7-18/h3-13,30H,14-15H2,1-2H3/b28-23+InChIKey
SXTWFWLDLALBNI-WEMUOSSPSA-NSynonyms
373372-93-1(Z)3benzyl7(2(4chlorophenyl)2(hydroxyimino)ethoxy)48dimethyl2Hchromen2one
373372931
3benzyl7(((2Z)2(4chlorophenyl)2(hydroxyimino)ethyl)oxy)48dimethyl2Hchromen2one
3benzyl7((2Z)2(4chlorophenyl)2hydroxyiminoethoxy)48dimethylchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=NO)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI=1SC26H22ClNO4c11621121324(311523(2830)1981020(27)11919)17(2)25(21)3226(29)22(16)14186435718h31330H1415H212H3b2823+
MFCD01946961
ON=C(c1ccc(cc1)Cl)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
ZINC000013773580
ZINC100110397
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