Vitas-M small molecule compound
1-cycloheptyl-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434161
SMILES COc1cc(ccc1OC(C)C)C1SC(=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 C23H31N3O3S MW 429.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O3S/c1-14(2)29-18-12-11-16(13-19(18)28-4)21-20-22(24-15(3)30-21)26(25-23(20)27)17-9-7-5-6-8-10-17/h11-14,17,21H,5-10H2,1-4H3,(H,25,27)InChIKey
QNMCPILMAIXJHZ-UHFFFAOYSA-NSynonyms
1cycloheptyl4(3methoxy4(propan2yloxy)phenyl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cycloheptyl4(3methoxy4propan2yloxyphenyl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC(=C(C=C3)OC(C)C)OC)C(=O)NN2C4CCCCCC4
COc1cc(ccc1OC(C)C)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)C
InChI=1SC23H31N3O3Sc114(2)2918121116(1319(18)284)212022(2415(3)3021)26(2523(20)27)17975681017h11141721H510H214H3(H2527)
MFCD26098612
ZINC000085411781
ZINC000085411783
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