Vitas-M small molecule compound
8,8-dimethyl-5-(phenylamino)-3-[(3-phenylpropyl)sulfanyl]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Catalog ID
STK599768
SMILES N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCCCc1ccccc1)nn2
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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 C27H27N5OS MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5OS/c1-27(2)16-21-22(17-28)24(29-20-13-7-4-8-14-20)32-25(23(21)18-33-27)30-31-26(32)34-15-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-14,29H,9,12,15-16,18H2,1-2H3InChIKey
CQKPUURGZXOTGW-UHFFFAOYSA-NSynonyms
902017-12-388dimethyl5(phenylamino)3((3phenylpropyl)sulfanyl)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
88dimethyl5(phenylamino)3((3phenylpropyl)thio)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
902017123
CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCCCC5=CC=CC=C5)C
InChI=1SC27H27N5OSc127(2)162122(1728)24(2920137481420)3225(23(21)183327)303126(32)341591219105361119h381011131429H912151618H212H3
MFCD06781883
ZINC000009581082
ZINC09581082
ZINC9581082
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