Vitas-M small molecule compound
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
Catalog ID
STK748806
SMILES CCc1ccc(cc1)C1C(=C(CSc2nc(C)c(c(c2C#N)C)C)OC(=C1C#N)N)C(=O)OC(C)C
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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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-7-19-8-10-20(11-9-19)24-22(13-30)26(31)35-23(25(24)28(33)34-15(2)3)14-36-27-21(12-29)17(5)16(4)18(6)32-27/h8-11,15,24H,7,14,31H2,1-6H3InChIKey
BMTBQDNFOLFSQP-UHFFFAOYSA-NSynonyms
339582-52-4339582524
CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC(C)C)CSC3=NC(=C(C(=C3C#N)C)C)C)N)C#N
InChI=1SC28H30N4O3Sc171981020(11919)2422(1330)26(31)3523(25(24)28(33)3415(2)3)14362721(1229)17(5)16(4)18(6)3227h8111524H71431H216H3
isopropyl6amino5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4(4ethylphenyl)4Hpyran3carboxylate
MFCD00743892
propan2yl6amino5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4(4ethylphenyl)4Hpyran3carboxylate
PROPAN2YL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4(4ETHYLPHENYL)4HPYRAN3CARBOXYLATE
ZINC000008934390
ZINC000008934633
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