Vitas-M small molecule compound

1-cyclohexyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one

Catalog ID
STL434198
SMILES COc1cc(cc(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/c1-12-22-20-17(21(25)23-24(20)14-8-6-5-7-9-14)19(29-12)13-10-15(26-2)18(28-4)16(11-13)27-3/h10-11,14,19H,5-9H2,1-4H3,(H,23,25)
InChIKey
AYDJGXBTSNSDBT-UHFFFAOYSA-N
Synonyms

1cyclohexyl6methyl4(345trimethoxyphenyl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cyclohexyl6methyl4(345trimethoxyphenyl)24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NN2C4CCCCC4
COc1cc(cc(c1OC)OC)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCC1)C
InChI=1SC21H27N3O4Sc112222017(21(25)2324(20)148657914)19(2912)131015(262)18(284)16(1113)273h10111419H59H214H3(H2325)
MFCD26098641
ZINC000085411991
ZINC000085411993

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Available files

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