Vitas-M small molecule compound
3-(2,4-dimethoxyphenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK852880
SMILES COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)SC
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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 C23H23N3O3S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S2/c1-28-16-6-9-20(21(10-16)29-2)25-13-26-22(27)11-18(19(12-24)23(26)31-14-25)15-4-7-17(30-3)8-5-15/h4-10,18H,11,13-14H2,1-3H3InChIKey
OOBHWHIREXBVLK-UHFFFAOYSA-NSynonyms
896092-77-63(24dimethoxyphenyl)8(4(methylsulfanyl)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(24dimethoxyphenyl)8(4(methylthio)phenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
3(24dimethoxyphenyl)8(4methylsulfanylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
896092776
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)SC)OC
InChI=1SC23H23N3O3S2c128166920(21(1016)292)25132622(27)1118(19(1224)23(26)311425)154717(303)8515h41018H111314H213H3
MFCD06597376
ZINC000002208670
ZINC000002208672
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