Vitas-M small molecule compound
9-(difluoromethyl)-2-{4-[(4-ethylphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL174444
SMILES CCc1ccc(cc1)OCc1ccc(cc1)c1nn2c(n1)c1sc3c(c1nc2)c(C)cc(n3)C(F)F
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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 C27H21F2N5OS MW 501.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F2N5OS/c1-3-16-6-10-19(11-7-16)35-13-17-4-8-18(9-5-17)25-32-26-23-22(30-14-34(26)33-25)21-15(2)12-20(24(28)29)31-27(21)36-23/h4-12,14,24H,3,13H2,1-2H3InChIKey
BGMPMZZKIPQVBL-UHFFFAOYSA-NSynonyms
9(difluoromethyl)2(4((4ethylphenoxy)methyl)phenyl)7methylpyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
CCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)SC6=C5C(=CC(=N6)C(F)F)C
InChI=1SC27H21F2N5OSc131661019(11716)3513174818(9517)2532262322(301434(26)3325)2115(2)1220(24(28)29)3127(21)3623h4121424H313H212H3
MFCD08554337
ZINC000013644118
ZINC13644118
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