Vitas-M small molecule compound
2-[(4-{(E)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STL374941
SMILES N#Cc1ccccc1COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(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 C29H25N3O4 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4/c1-29(2,3)22-10-12-23(13-11-22)32-27(34)25(26(33)31-28(32)35)16-19-8-14-24(15-9-19)36-18-21-7-5-4-6-20(21)17-30/h4-16H,18H2,1-3H3,(H,31,33,35)/b25-16+InChIKey
BLGBHHBSHMIPLN-PCLIKHOPSA-NSynonyms
2((4((E)(1(4TERTBUTYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4((E)(1(4tertbutylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzonitrile
CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C(=O)NC2=O
InChI=1SC29H25N3O4c129(23)22101223(131122)3227(34)25(26(33)3128(32)35)161981424(15919)361821754620(21)1730h416H18H213H3(H313335)b2516+
MFCD02045149
N#Cc1ccccc1COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)C
ZINC000009056609
ZINC09056609
ZINC9056609
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