Vitas-M small molecule compound
8,8-dimethyl-5-[(4-methylphenyl)amino]-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Catalog ID
STK573677
SMILES N#Cc1c(Nc2ccc(cc2)C)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 C27H24N6O4S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N6O4S/c1-16-4-8-18(9-5-16)29-24-21(13-28)20-12-27(2,3)37-14-22(20)25-30-31-26(32(24)25)38-15-23(34)17-6-10-19(11-7-17)33(35)36/h4-11,29H,12,14-15H2,1-3H3InChIKey
TVANSQRYWRYCDT-UHFFFAOYSA-NSynonyms
900898-19-388dimethyl3((2(4nitrophenyl)2oxoethyl)thio)5(ptolylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
88dimethyl5((4methylphenyl)amino)3((2(4nitrophenyl)2oxoethyl)sulfanyl)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridine6carbonitrile
900898193
CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC(=O)C5=CC=C(C=C5)(N+)(=O)(O))C#N
InChI=1SC27H24N6O4Sc1164818(9516)292421(1328)201227(23)371422(20)25303126(32(24)25)381523(34)1761019(11717)33(35)36h41129H121415H213H3
MFCD06777252
N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)c3ccc(cc3)(N+)(=O)(O))nnc2c2c1CC(C)(C)OC2
ZINC000097956649
ZINC97956649
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