Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK331978
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1ccc(o1)c1cccc(c1)C(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 C29H21F3N2O6S MW 582.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21F3N2O6S/c1-3-37-27(36)24-15(2)33-28-34(25(24)17-7-9-21-22(12-17)39-14-38-21)26(35)23(41-28)13-19-8-10-20(40-19)16-5-4-6-18(11-16)29(30,31)32/h4-13,25H,3,14H2,1-2H3/b23-13+InChIKey
RBGVFFCAZOWUND-YDZHTSKRSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)C6=CC(=CC=C6)C(F)(F)F)S2)C
ethyl(2E)5(13benzodioxol5yl)7methyl3oxo2((5(3(trifluoromethyl)phenyl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(13BENZODIOXOL5YL)7METHYL3OXO2((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(13BENZODIOXOL5YL)7METHYL3OXO2((5(3(TRIFLUOROMETHYL)PHENYL)2FURYL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H21F3N2O6Sc133727(36)2415(2)332834(25(24)17792122(1217)39143821)26(35)23(4128)131981020(4019)1654618(1116)29(3031)32h41325H314H212H3b2313+
MFCD01815961
ZINC000008440616
ZINC000008440618
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