Vitas-M small molecule compound
(2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK800583
SMILES N#C/C(=C\c1c(Oc2ccc(c(c2)C)Cl)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 C25H18ClN3O4S MW 491.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O4S/c1-16-7-6-12-29-23(16)28-24(33-18-10-11-22(26)17(2)13-18)21(25(29)30)14-20(15-27)34(31,32)19-8-4-3-5-9-19/h3-14H,1-2H3/b20-14+InChIKey
MBZRSFXZTPNNBF-XSFVSMFZSA-NSynonyms
1164538-94-6(2E)3(2(4chloro3methylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(2(4CHLORO3METHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2BENZENESULFONYL3(2(4CHLORO3METHYLPHENOXY)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)ACRYLONITRILE
(E)3(2(4chloro3methylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)acrylonitrile
1164538946
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC4=CC(=C(C=C4)Cl)C
InChI=1SC25H18ClN3O4Sc11676122923(16)2824(3318101122(26)17(2)1318)21(25(29)30)1420(1527)34(3132)198435919h314H12H3b2014+
MFCD04189649
N#CC(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2C)S(=O)(=O)c1ccccc1
ZINC000002425196
ZINC2425196
Check stock
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Check stock on Vitas-MAvailable files
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