Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL236840
SMILES O=C1CSC(c2c(N1)n(nc2O)C1CCOC(C1)(C)C)c1ccc(cc1)OC(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 C22H29N3O4S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O4S/c1-13(2)29-16-7-5-14(6-8-16)19-18-20(23-17(26)12-30-19)25(24-21(18)27)15-9-10-28-22(3,4)11-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,23,26)(H,24,27)InChIKey
FWQLBYPFHHUGON-UHFFFAOYSA-NSynonyms
797015-73-71(22DIMETHYLOXAN4YL)4(4PROPAN2YLOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1(22dimethyltetrahydro2Hpyran4yl)3hydroxy4(4(propan2yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(22dimethyltetrahydro2Hpyran4yl)3hydroxy4(4isopropoxyphenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
797015737
CC(C)OC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C
InChI=1SC22H29N3O4Sc113(2)29167514(6816)191820(2317(26)123019)25(2421(18)27)159102822(34)1115h58131519H912H214H3(H2326)(H2427)
MFCD03662756
ZINC000002363662
ZINC000002363666
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