Vitas-M small molecule compound
ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate
Catalog ID
STK848626
SMILES CCOC(=O)c1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1
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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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-2-29-23(28)17-8-10-18(11-9-17)25-14-26-21(27)12-19(16-6-4-3-5-7-16)20(13-24)22(26)30-15-25/h3-11,19H,2,12,14-15H2,1H3InChIKey
UPQLMILMUFCROP-UHFFFAOYSA-NSynonyms
896095-16-2896095162
CCOC(=O)C1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4
ETHYL4((8R)9CYANO6OXO8PHENYL78DIHYDRO2H6HPYRIDO(21B)(135)THIADIAZIN3(4H)YL)BENZOATE
ethyl4(9cyano6oxo8phenyl2478tetrahydropyrido(21b)(135)thiadiazin3yl)benzoate
ethyl4(9cyano6oxo8phenyl78dihydro2H6Hpyrido(21b)(135)thiadiazin3(4H)yl)benzoate
ethyl4(9cyano6oxo8phenyl78dihydropyrido(21b)(135)thiadiazin3(2H4H6H)yl)benzoate
InChI=1SC23H21N3O3Sc122923(28)1781018(11917)25142621(27)1219(166435716)20(1324)22(26)301525h31119H2121415H21H3
MFCD06594436
ZINC000002194636
ZINC000002194638
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