Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK704486
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/S(=O)(=O)c1ccc(cc1)Cl
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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 C27H22ClN3O4S MW 520.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4S/c1-27(2,3)18-7-11-20(12-8-18)35-25-23(26(32)31-15-5-4-6-24(31)30-25)16-22(17-29)36(33,34)21-13-9-19(28)10-14-21/h4-16H,1-3H3/b22-16+InChIKey
YIQMKINSBQVDHX-CJLVFECKSA-NSynonyms
573707-58-1(2E)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2((4chlorophenyl)sulfonyl)prop2enenitrile
(E)3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2((4chlorophenyl)sulfonyl)acrylonitrile
(E)3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2(4CHLOROPHENYL)SULFONYLPROP2ENENITRILE
573707581
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI=1SC27H22ClN3O4Sc127(23)1871120(12818)352523(26(32)311554624(31)3025)1622(1729)36(3334)2113919(28)101421h416H13H3b2216+
MFCD04018202
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)S(=O)(=O)c1ccc(cc1)Cl
ZINC000013513818
ZINC13513818
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