Vitas-M small molecule compound
(2E,9E)-9-benzylidene-2-(4-methoxybenzylidene)-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STK721929
SMILES COc1ccc(cc1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccccc1)CCC/C/3=C\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 C31H26N2O2S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O2S/c1-35-25-17-15-22(16-18-25)20-27-30(34)33-29(23-11-6-3-7-12-23)26-14-8-13-24(28(26)32-31(33)36-27)19-21-9-4-2-5-10-21/h2-7,9-12,15-20,29H,8,13-14H2,1H3/b24-19+,27-20+InChIKey
WORNVIABNYABSF-HQQAWFPWSA-NSynonyms
(2E9E)9benzylidene2((4methoxyphenyl)methylidene)5phenyl5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9benzylidene2(4methoxybenzylidene)5phenyl6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
COC1=CC=C(C=C1)C=C2C(=O)N3C(C4=C(C(=CC5=CC=CC=C5)CCC4)N=C3S2)C6=CC=CC=C6
COc1ccc(cc1)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1)CCCC3=Cc1ccccc1
InChI=1SC31H26N2O2Sc13525171522(161825)202730(34)3329(23116371223)261481324(28(26)3231(33)3627)192194251021h27912152029H81314H21H3b2419+2720+
MFCD03177138
ZINC000015162273
ZINC000015162276
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