Vitas-M small molecule compound
ethyl (9Z)-9-benzylidene-3-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate
Catalog ID
STL112557
SMILES CCOC(=O)c1sc2=NC3=C(C(n2c1C)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 C27H26N2O2S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2S/c1-3-31-26(30)25-18(2)29-24(20-13-8-5-9-14-20)22-16-10-15-21(23(22)28-27(29)32-25)17-19-11-6-4-7-12-19/h4-9,11-14,17,24H,3,10,15-16H2,1-2H3/b21-17-InChIKey
UFSZFJVOVRAILX-FXBPSFAMSA-NSynonyms
CCOC(=O)C1=C(N2C(C3=C(C(=CC4=CC=CC=C4)CCC3)N=C2S1)C5=CC=CC=C5)C
CCOC(=O)c1sc2=NC3=C(C(n2c1C)c1ccccc1)CCCC3=Cc1ccccc1
ethyl(9Z)9benzylidene3methyl5phenyl5678tetrahydro(13)thiazolo(23b)quinazoline2carboxylate
ethyl(9Z)9benzylidene3methyl5phenyl6789tetrahydro5H(13)thiazolo(23b)quinazoline2carboxylate
InChI=1SC27H26N2O2Sc133126(30)2518(2)2924(20138591420)2216101521(23(22)2827(29)3225)1719116471219h4911141724H3101516H212H3b2117
MFCD19104941
ZINC000067172427
ZINC000067172428
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