Vitas-M small molecule compound
8,8-dimethyl-3-{[2-(4-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
STK597943
SMILES N#Cc1c(Nc2ccccc2)n2c(SCC(=O)c3ccc(cc3)[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(28-17-6-4-3-5-7-17)31-24(21(19)14-36-26)29-30-25(31)37-15-22(33)16-8-10-18(11-9-16)32(34)35/h3-11,28H,12,14-15H2,1-2H3InChIKey
PGMMWILYXRHFSC-UHFFFAOYSA-NSynonyms
879434-20-5879434205
88dimethyl3((2(4nitrophenyl)2oxoethyl)sulfanyl)5(phenylamino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
88dimethyl3((2(4nitrophenyl)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=C(C=C5)(N+)(=O)(O))C
InChI=1SC26H22N6O4Sc126(2)121920(1327)23(28176435717)3124(21(19)143626)293025(31)371522(33)1681018(11916)32(34)35h31128H121415H212H3
MFCD06779158
N#Cc1c(Nc2ccccc2)n2c(SCC(=O)c3ccc(cc3)(N+)(=O)(O))nnc2c2c1CC(C)(C)OC2
ZINC000009108878
ZINC09108878
ZINC9108878
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