Vitas-M small molecule compound
ethyl (9Z)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-3,7-dimethyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate
Catalog ID
STL112558
SMILES CCOC(=O)c1sc2=NC3=C(C(n2c1C)c1ccc(cc1)F)CC(C/C/3=C/c1ccc(cc1)F)C
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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 C28H26F2N2O2S MW 492.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26F2N2O2S/c1-4-34-27(33)26-17(3)32-25(19-7-11-22(30)12-8-19)23-14-16(2)13-20(24(23)31-28(32)35-26)15-18-5-9-21(29)10-6-18/h5-12,15-16,25H,4,13-14H2,1-3H3/b20-15-InChIKey
FRVQCCCBFWYKDX-HKWRFOASSA-NSynonyms
CCOC(=O)C1=C(N2C(C3=C(C(=CC4=CC=C(C=C4)F)CC(C3)C)N=C2S1)C5=CC=C(C=C5)F)C
CCOC(=O)c1sc2=NC3=C(C(n2c1C)c1ccc(cc1)F)CC(CC3=Cc1ccc(cc1)F)C
ethyl(9Z)5(4fluorophenyl)9((4fluorophenyl)methylidene)37dimethyl5678tetrahydro(13)thiazolo(23b)quinazoline2carboxylate
ethyl(9Z)9(4fluorobenzylidene)5(4fluorophenyl)37dimethyl6789tetrahydro5H(13)thiazolo(23b)quinazoline2carboxylate
InChI=1SC28H26F2N2O2Sc143427(33)2617(3)3225(1971122(30)12819)231416(2)1320(24(23)3128(32)3526)15185921(29)10618h512151625H41314H213H3b2015
MFCD07700714
ZINC000004482428
ZINC000012562449
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