Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK800889
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/S(=O)(=O)c1ccccc1
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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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-19-9-8-16-31-25(19)30-26(35-21-14-12-20(13-15-21)28(2,3)4)24(27(31)32)17-23(18-29)36(33,34)22-10-6-5-7-11-22/h5-17H,1-4H3/b23-17+InChIKey
CEYDUGDCYHPWKR-HAVVHWLPSA-NSynonyms
620111-24-2(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)acrylonitrile
620111242
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H25N3O4Sc11998163125(19)3026(3521141220(131521)28(23)4)24(27(31)32)1723(1829)36(3334)22106571122h517H14H3b2317+
MFCD04189238
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)S(=O)(=O)c1ccccc1
ZINC000002424340
ZINC2424340
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