Vitas-M small molecule compound
7-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL319363
SMILES COc1cc(cc(c1O)OC)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O
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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 C17H21N3O5S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O5S/c1-8(2)20-16-13(17(23)19-20)15(26-7-12(21)18-16)9-5-10(24-3)14(22)11(6-9)25-4/h5-6,8,15,22H,7H2,1-4H3,(H,18,21)(H,19,23)InChIKey
IQGSVLCBKDGWOV-UHFFFAOYSA-NSynonyms
1435996-89-61435996896
4(4hydroxy35dimethoxyphenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4hydroxy35dimethoxyphenyl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C(=C3)OC)O)OC)C(=O)N1
COc1cc(cc(c1O)OC)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O
InChI=1SC17H21N3O5Sc18(2)201613(17(23)1920)15(26712(21)1816)9510(243)14(22)11(69)254h5681522H7H214H3(H1821)(H1923)
MFCD28031828
ZINC000095480015
ZINC000095480016
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