Vitas-M small molecule compound
methyl 4-[(10E)-9-oxo-10-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-yl]benzoate
Catalog ID
STK796757
SMILES COC(=O)c1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/s3)c1c(CC2)cccc1
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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 C34H23F3N2O4S MW 612.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23F3N2O4S/c1-42-32(41)21-11-9-20(10-12-21)30-26-15-13-19-5-2-3-8-25(19)29(26)38-33-39(30)31(40)28(44-33)18-24-14-16-27(43-24)22-6-4-7-23(17-22)34(35,36)37/h2-12,14,16-18,30H,13,15H2,1H3/b28-18+InChIKey
BHSDPZMJGKYIIS-MTDXEUNCSA-NSynonyms
(Z)methyl4(9oxo10((5(3(trifluoromethyl)phenyl)furan2yl)methylene)67910tetrahydro5Hbenzo(h)thiazolo(23b)quinazolin7yl)benzoate
COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(O6)C7=CC(=CC=C7)C(F)(F)F)S5
COC(=O)c1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)s3)c1c(CC2)cccc1
InChI=1SC34H23F3N2O4Sc14232(41)2111920(101221)3026151319523825(19)29(26)383339(30)31(40)28(4433)1824141627(4324)2264723(1722)34(3536)37h21214161830H1315H21H3b2818+
methyl4((10E)9oxo10((5(3(trifluoromethyl)phenyl)furan2yl)methylidene)57910tetrahydro6Hbenzo(h)(13)thiazolo(23b)quinazolin7yl)benzoate
MFCD04227291
ZINC000097968878
ZINC000097968879
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.