Vitas-M small molecule compound
(2E)-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK800208
SMILES N#C/C(=C\c1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2)/S(=O)(=O)c1ccc(cc1)C
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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 C26H21N3O4S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4S/c1-17-10-12-20(13-11-17)34(31,32)21(16-27)15-22-25(33-23-8-6-7-18(2)19(23)3)28-24-9-4-5-14-29(24)26(22)30/h4-15H,1-3H3/b21-15+InChIKey
GEBTXFQSXLMAOZ-RCCKNPSSSA-NSynonyms
620109-39-9(2E)3(2(23dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2((4methylphenyl)sulfonyl)prop2enenitrile
(E)3(2(23dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2tosylacrylonitrile
(E)3(2(23DIMETHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2(4METHYLPHENYL)SULFONYLPROP2ENENITRILE
620109399
CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC(=C4C)C)C#N
InChI=1SC26H21N3O4Sc117101220(131117)34(3132)21(1627)152225(332386718(2)19(23)3)28249451429(24)26(22)30h415H13H3b2115+
MFCD04168141
N#CC(=Cc1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2)S(=O)(=O)c1ccc(cc1)C
ZINC000002415802
ZINC2415802
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