Vitas-M small molecule compound
4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK784950
SMILES N#CC1=C(OC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1Cl)C(=O)CCC2)n1cccc1
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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 C28H23ClN2O4 MW 486.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O4/c1-33-25-15-18(11-12-23(25)34-17-19-7-2-3-8-21(19)29)26-20(16-30)28(31-13-4-5-14-31)35-24-10-6-9-22(32)27(24)26/h2-5,7-8,11-15,26H,6,9-10,17H2,1H3InChIKey
LCGFOOYUGNXFRW-UHFFFAOYSA-NSynonyms
4(4((2chlorobenzyl)oxy)3methoxyphenyl)5oxo2(1Hpyrrol1yl)5678tetrahydro4Hchromene3carbonitrile
4(4((2chlorophenyl)methoxy)3methoxyphenyl)5oxo2pyrrol1yl4678tetrahydrochromene3carbonitrile
COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N4C=CC=C4)C#N)OCC5=CC=CC=C5Cl
InChI=1SC28H23ClN2O4c133251518(111223(25)341719723821(19)29)2620(1630)28(3113451431)3524106922(32)27(24)26h2578111526H691017H21H3
MFCD07657382
ZINC000012419526
ZINC000012419529
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