Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[2-(2-phenylethoxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411211
SMILES OC1=Nc2c(C(SC1)c1ccccc1OCCc1ccccc1)c(=O)[nH]n2C1CCOC(C1)(C)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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-27(2)16-19(13-15-34-27)30-25-23(26(32)29-30)24(35-17-22(31)28-25)20-10-6-7-11-21(20)33-14-12-18-8-4-3-5-9-18/h3-11,19,24H,12-17H2,1-2H3,(H,28,31)(H,29,32)InChIKey
QGARGWRPVRKNOW-UHFFFAOYSA-NSynonyms
1574515-04-01(22dimethyloxan4yl)4(2(2phenylethoxy)phenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(2(2phenylethoxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574515040
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4OCCC5=CC=CC=C5)C(=O)N2)C
InChI=1SC27H31N3O4Sc127(2)1619(13153427)302523(26(32)2930)24(351722(31)2825)2010671121(20)331412188435918h3111924H1217H212H3(H2831)(H2932)
MFCD30706600
OC1=Nc2c(C(SC1)c1ccccc1OCCc1ccccc1)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117721
ZINC000096117724
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