Vitas-M small molecule compound
methyl (2E)-7-methyl-3-oxo-5-phenyl-2-({5-[2-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK246639
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(o1)c1ccccc1C(F)(F)F)/s2
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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 C27H19F3N2O4S MW 524.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19F3N2O4S/c1-15-22(25(34)35-2)23(16-8-4-3-5-9-16)32-24(33)21(37-26(32)31-15)14-17-12-13-20(36-17)18-10-6-7-11-19(18)27(28,29)30/h3-14,23H,1-2H3/b21-14+InChIKey
RWZNHJCHDXVELP-KGENOOAVSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4C(F)(F)F)SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)c1ccccc1C(F)(F)F)s2
InChI=1SC27H19F3N2O4Sc11522(25(34)352)23(168435916)3224(33)21(3726(32)3115)1417121320(3617)1810671119(18)27(2829)30h31423H12H3b2114+
METHYL(2E)7METHYL3OXO5PHENYL2((5(2(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)7methyl3oxo5phenyl2((5(2(trifluoromethyl)phenyl)furan2yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD08672220
ZINC000097961852
ZINC000097961853
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