Vitas-M small molecule compound
3-(3-chloro-2-methylphenyl)-8-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827448
SMILES CCOc1ccc(cc1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1cccc(c1C)Cl
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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 C23H22ClN3O2S MW 439.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O2S/c1-3-29-17-9-7-16(8-10-17)18-11-22(28)27-13-26(14-30-23(27)19(18)12-25)21-6-4-5-20(24)15(21)2/h4-10,18H,3,11,13-14H2,1-2H3InChIKey
LYAMFWYKHUMJSP-UHFFFAOYSA-NSynonyms
3(3chloro2methylphenyl)8(4ethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chloro2methylphenyl)8(4ethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=C(C(=CC=C4)Cl)C
InChI=1SC23H22ClN3O2Sc1329179716(81017)181122(28)271326(143023(27)19(18)1225)2164520(24)15(21)2h41018H3111314H212H3
MFCD10087849
ZINC000009693135
ZINC000009693136
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