Vitas-M small molecule compound
methyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Catalog ID
STK824080
SMILES N#C/C(=C\c1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2C)/C(=O)OC
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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/c1-12-5-4-8-25-18(12)24-19(29-15-6-7-17(22)13(2)9-15)16(20(25)26)10-14(11-23)21(27)28-3/h4-10H,1-3H3/b14-10+InChIKey
VHQXGIQCXSQVKI-GXDHUFHOSA-NSynonyms
620536-80-3(E)methyl3(2(4chloro3methylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
620536803
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)OC)OC3=CC(=C(C=C3)Cl)C
InChI=1SC21H16ClN3O4c1125482518(12)2419(29156717(22)13(2)915)16(20(25)26)1014(1123)21(27)283h410H13H3b1410+
METHYL(2E)3(2(4CHLORO3METHYLPHENOXY)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))2CYANOPROP2ENOATE
methyl(2E)3(2(4chloro3methylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
METHYL(E)3(2(4CHLORO3METHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
MFCD04191055
N#CC(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2C)C(=O)OC
ZINC000002426508
ZINC2426508
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