Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STK154004
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F
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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 C27H21FN2O6 MW 488.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O6/c1-3-35-23-15-17(6-13-22(23)36-26(33)18-7-4-16(2)5-8-18)14-21-24(31)29-27(34)30(25(21)32)20-11-9-19(28)10-12-20/h4-15H,3H2,1-2H3,(H,29,31,34)/b21-14-InChIKey
COXXQGDIEWHETL-STZFKDTASA-NSynonyms
(2ethoxy4((Z)(1(4fluorophenyl)246trioxo13diazinan5ylidene)methyl)phenyl)4methylbenzoate
2ETHOXY4((Z)(1(4FLUOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHYLBENZOATE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)OC(=O)C4=CC=C(C=C4)C
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)F
InChI=1SC27H21FN2O6c1335231517(61322(23)3626(33)187416(2)5818)142124(31)2927(34)30(25(21)32)2011919(28)101220h415H3H212H3(H293134)b2114
MFCD08673229
ZINC000009720771
ZINC09720771
ZINC9720771
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