Vitas-M small molecule compound
2-[(4-{(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile
Catalog ID
STK053589
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C27H20ClN3O5 MW 501.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O5/c1-2-35-24-14-17(7-12-23(24)36-16-19-6-4-3-5-18(19)15-29)13-22-25(32)30-27(34)31(26(22)33)21-10-8-20(28)9-11-21/h3-14H,2,16H2,1H3,(H,30,32,34)/b22-13-InChIKey
OPDVVOGVILDGDY-XKZIYDEJSA-NSynonyms
2((4((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
2((4((Z)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC27H20ClN3O5c1235241417(71223(24)361619643518(19)1529)132225(32)3027(34)31(26(22)33)2110820(28)91121h314H216H21H3(H303234)b2213
MFCD05976039
STK053589
ZINC000009434907
ZINC09434907
ZINC9434907
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