Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK705457
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/c1nc2c(s1)cccc2
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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 C28H22N4O2S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O2S/c1-28(2,3)19-11-13-20(14-12-19)34-25-21(27(33)32-15-7-6-10-24(32)31-25)16-18(17-29)26-30-22-8-4-5-9-23(22)35-26/h4-16H,1-3H3/b18-16+InChIKey
IAQYANGBBZIOQK-FBMGVBCBSA-NSynonyms
620104-96-3(2E)2(13benzothiazol2yl)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620104963
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C4=NC5=CC=CC=C5S4
InChI=1SC28H22N4O2Sc128(23)19111320(141219)342521(27(33)3215761024(32)3125)1618(1729)263022845923(22)3526h416H13H3b1816+
MFCD04181342
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)c1nc2c(s1)cccc2
ZINC000008590237
ZINC8590237
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