Vitas-M small molecule compound
(5Z)-5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK042022
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCCOc1ccccc1)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 C27H23ClN2O6 MW 506.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O6/c1-17-7-6-8-19(13-17)30-26(32)21(25(31)29-27(30)33)14-18-15-22(28)24(23(16-18)34-2)36-12-11-35-20-9-4-3-5-10-20/h3-10,13-16H,11-12H2,1-2H3,(H,29,31,33)/b21-14-InChIKey
AFQFBXGVEIYGAX-STZFKDTASA-NSynonyms
(5Z)5((3CHLORO5METHOXY4(2PHENOXYETHOXY)PHENYL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
(5Z)5(3CHLORO5METHOXY4(2PHENOXYETHOXY)BENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCCOC4=CC=CC=C4)OC)C(=O)NC2=O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCCOc1ccccc1)Cl
InChI=1SC27H23ClN2O6c11776819(1317)3026(32)21(25(31)2927(30)33)14181522(28)24(23(1618)342)361211352094351020h3101316H1112H212H3(H293133)b2114
MFCD01873520
STK042022
ZINC000013942573
ZINC13942573
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