Vitas-M small molecule compound
2-[(4-{(E)-[1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK177158
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)OCc2ccccc2C#N)/C1=O
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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 C27H21N3O5 MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5/c1-2-34-22-13-9-21(10-14-22)30-26(32)24(25(31)29-27(30)33)15-18-7-11-23(12-8-18)35-17-20-6-4-3-5-19(20)16-28/h3-15H,2,17H2,1H3,(H,29,31,33)/b24-15+InChIKey
KCLIBMBBYNVYEV-BUVRLJJBSA-NSynonyms
2((4((1(4ETHOXYPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((4((E)(1(4ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4((E)(1(4ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCc2ccccc2C#N)C1=O
InChI=1SC27H21N3O5c12342213921(101422)3026(32)24(25(31)2927(30)33)151871123(12818)351720643519(20)1628h315H217H21H3(H293133)b2415+
MFCD02044551
ZINC000008895820
ZINC08895820
ZINC8895820
Check stock
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