Vitas-M small molecule compound

8,8-dimethyl-3-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

Catalog ID
STK594409
SMILES N#Cc1c(Nc2ccccc2)n2c(SCC(=O)c3cccc(c3)[N+](=O)[O-])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 C26H22N6O4S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O4S/c1-26(2)12-19-20(13-27)23(28-17-8-4-3-5-9-17)31-24(21(19)14-36-26)29-30-25(31)37-15-22(33)16-7-6-10-18(11-16)32(34)35/h3-11,28H,12,14-15H2,1-2H3
InChIKey
GHQOTLCCGVNIBD-UHFFFAOYSA-N
Synonyms
879473-87-7
879473877
88dimethyl3((2(3nitrophenyl)2oxoethyl)sulfanyl)5(phenylamino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
88dimethyl3((2(3nitrophenyl)2oxoethyl)thio)5(phenylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC(=O)C5=CC(=CC=C5)(N+)(=O)(O))C
InChI=1SC26H22N6O4Sc126(2)121920(1327)23(28178435917)3124(21(19)143626)293025(31)371522(33)16761018(1116)32(34)35h31128H121415H212H3
MFCD06771922
N#Cc1c(Nc2ccccc2)n2c(SCC(=O)c3cccc(c3)(N+)(=O)(O))nnc2c2c1CC(C)(C)OC2
ZINC000009015926
ZINC09015926
ZINC9015926

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Available files

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