Vitas-M small molecule compound
(10Z)-7-(2,5-dimethoxyphenyl)-10-({5-[2-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK322874
SMILES COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(o1)c1ccccc1C(F)(F)F)/s3)c1c(CC2)cccc1)OC
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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 C34H25F3N2O4S MW 614.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25F3N2O4S/c1-41-20-12-15-27(42-2)25(17-20)31-24-14-11-19-7-3-4-8-22(19)30(24)38-33-39(31)32(40)29(44-33)18-21-13-16-28(43-21)23-9-5-6-10-26(23)34(35,36)37/h3-10,12-13,15-18,31H,11,14H2,1-2H3/b29-18-InChIKey
NWYAVGNOFKWNPV-MIXAMLLLSA-NSynonyms
(10Z)7(25dimethoxyphenyl)10((5(2(trifluoromethyl)phenyl)furan2yl)methylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
COC1=CC(=C(C=C1)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(O6)C7=CC=CC=C7C(F)(F)F)S5
COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)c1ccccc1C(F)(F)F)s3)c1c(CC2)cccc1)OC
InChI=1SC34H25F3N2O4Sc14120121527(422)25(1720)3124141119734822(19)30(24)383339(31)32(40)29(4433)1821131628(4321)239561026(23)34(3536)37h3101213151831H1114H212H3b2918
MFCD06102112
ZINC000097962508
ZINC000097962509
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