Vitas-M small molecule compound
ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Catalog ID
STK705476
SMILES CCOC(=O)/C(=C/c1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)/C#N
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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 C21H16ClN3O4 MW 409.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O4/c1-3-28-21(27)14(12-23)11-16-19(29-15-7-8-17(22)13(2)10-15)24-18-6-4-5-9-25(18)20(16)26/h4-11H,3H2,1-2H3/b14-11+InChIKey
BJJDUPXWJYIDIF-SDNWHVSQSA-NSynonyms
620108-01-2(E)ethyl3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
620108012
CCOC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)OC3=CC(=C(C=C3)Cl)C)C#N
CCOC(=O)C(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)C#N
ethyl(2E)3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
ETHYL(E)3(2(4CHLORO3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
InChI=1SC21H16ClN3O4c132821(27)14(1223)111619(29157817(22)13(2)1015)2418645925(18)20(16)26h411H3H212H3b1411+
MFCD04173676
ZINC000002425060
ZINC2425060
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