Vitas-M small molecule compound
(2E)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK706105
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)Br)nc2n(c1=O)cccc2)/C(=O)NC1CCS(=O)(=O)C1
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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 C22H17BrN4O5S MW 529.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O5S/c23-15-4-6-17(7-5-15)32-21-18(22(29)27-9-2-1-3-19(27)26-21)11-14(12-24)20(28)25-16-8-10-33(30,31)13-16/h1-7,9,11,16H,8,10,13H2,(H,25,28)/b14-11+InChIKey
VTZDGAARGWNQGK-SDNWHVSQSA-NSynonyms
620105-20-6(2E)3(2(4bromophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)3(2(4bromophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(11dioxidotetrahydrothiophen3yl)acrylamide
(E)3(2(4BROMOPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(11DIOXOTHIOLAN3YL)PROP2ENAMIDE
620105206
C1CS(=O)(=O)CC1NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)Br)C#N
InChI=1SC22H17BrN4O5Sc23154617(7515)322118(22(29)27921319(27)2621)1114(1224)20(28)251681033(3031)1316h1791116H81013H2(H2528)b1411+
MFCD04447555
N#CC(=Cc1c(Oc2ccc(cc2)Br)nc2n(c1=O)cccc2)C(=O)NC1CCS(=O)(=O)C1
ZINC000100903792
ZINC000100903795
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