Vitas-M small molecule compound
3-[(4-fluorobenzyl)sulfanyl]-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Catalog ID
STK588558
SMILES N#Cc1c(Nc2ccccc2)n2c(SCc3ccc(cc3)F)nnc2c2c1CC(C)(C)OC2
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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 C25H22FN5OS MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN5OS/c1-25(2)12-19-20(13-27)22(28-18-6-4-3-5-7-18)31-23(21(19)14-32-25)29-30-24(31)33-15-16-8-10-17(26)11-9-16/h3-11,28H,12,14-15H2,1-2H3InChIKey
RKKXRNHTKQGCQW-UHFFFAOYSA-NSynonyms
900293-66-53((4fluorobenzyl)sulfanyl)88dimethyl5(phenylamino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
3((4fluorobenzyl)thio)88dimethyl5(phenylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
900293665
CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC5=CC=C(C=C5)F)C
InChI=1SC25H22FN5OSc125(2)121920(1327)22(28186435718)3123(21(19)143225)293024(31)33151681017(26)11916h31128H121415H212H3
MFCD06772073
ZINC000009448078
ZINC09448078
ZINC9448078
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