Vitas-M small molecule compound
1-cycloheptyl-4-(2,4-dimethoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434259
SMILES COc1cc(OC)ccc1C1SC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-13-22-20-18(21(25)23-24(20)14-8-6-4-5-7-9-14)19(28-13)16-11-10-15(26-2)12-17(16)27-3/h10-12,14,19H,4-9H2,1-3H3,(H,23,25)InChIKey
WSPHPFFTYDMEGB-UHFFFAOYSA-NSynonyms
1cycloheptyl4(24dimethoxyphenyl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cycloheptyl4(24dimethoxyphenyl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=C(C=C(C=C3)OC)OC)C(=O)NN2C4CCCCCC4
COc1cc(OC)ccc1C1SC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)C
InChI=1SC21H27N3O3Sc113222018(21(25)2324(20)1486457914)19(2813)16111015(262)1217(16)273h10121419H49H213H3(H2325)
MFCD26098683
ZINC000085412377
ZINC000085412382
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