Vitas-M small molecule compound
1-cyclohexyl-6-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434162
SMILES COc1c(ccc(c1OC)OC)C1SC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-12-22-20-16(21(25)23-24(20)13-8-6-5-7-9-13)19(29-12)14-10-11-15(26-2)18(28-4)17(14)27-3/h10-11,13,19H,5-9H2,1-4H3,(H,23,25)InChIKey
HPCDSDQQEGQFHM-UHFFFAOYSA-NSynonyms
1cyclohexyl6methyl4(234trimethoxyphenyl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cyclohexyl6methyl4(234trimethoxyphenyl)24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)NN2C4CCCCC4
COc1c(ccc(c1OC)OC)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCC1)C
InChI=1SC21H27N3O4Sc112222016(21(25)2324(20)138657913)19(2912)14101115(262)18(284)17(14)273h10111319H59H214H3(H2325)
MFCD26098613
ZINC000085411788
ZINC000085411791
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