Vitas-M small molecule compound
methyl (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Catalog ID
STK800361
SMILES COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1/C=C(/C(=O)OC)\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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-13-5-4-10-24-18(13)23-19(29-16-8-6-15(27-2)7-9-16)17(20(24)25)11-14(12-22)21(26)28-3/h4-11H,1-3H3/b14-11+InChIKey
KYSJCJFJXMNGHI-SDNWHVSQSA-NSynonyms
620111-97-9(E)methyl2cyano3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylate
620111979
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)OC)OC3=CC=C(C=C3)OC
COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(C(=O)OC)C#N
InChI=1SC21H17N3O5c11354102418(13)2319(29168615(272)7916)17(20(24)25)1114(1222)21(26)283h411H13H3b1411+
methyl(2E)2cyano3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enoate
METHYL(E)2CYANO3(2(4METHOXYPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENOATE
MFCD04181652
ZINC000002245011
ZINC2245011
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