Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STL005582
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/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 C29H24N4O2S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O2S/c1-18-8-7-15-33-25(18)32-26(35-21-13-11-20(12-14-21)29(2,3)4)22(28(33)34)16-19(17-30)27-31-23-9-5-6-10-24(23)36-27/h5-16H,1-4H3/b19-16+InChIKey
SQSYXAUVBCMNLE-KNTRCKAVSA-NSynonyms
620111-21-9(2E)2(13benzothiazol2yl)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620111219
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)OC5=CC=C(C=C5)C(C)(C)C
InChI=1SC29H24N4O2Sc11887153325(18)3226(3521131120(121421)29(23)4)22(28(33)34)1619(1730)2731239561024(23)3627h516H14H3b1916+
MFCD04178382
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)c1nc2c(s1)cccc2
ZINC000013776280
ZINC13776280
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