Vitas-M small molecule compound
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STL161129
SMILES CCOc1cc2CC(Oc2cc1C1SCC(=Nc2c1c(C)n[nH]2)O)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-4-23-14-6-11-5-9(2)24-13(11)7-12(14)17-16-10(3)20-21-18(16)19-15(22)8-25-17/h6-7,9,17H,4-5,8H2,1-3H3,(H2,19,20,21,22)InChIKey
CWKSQLJJHCGSAP-UHFFFAOYSA-NSynonyms
1246058-55-81246058558
4(5ethoxy2methyl23dihydro1benzofuran6yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(5ethoxy2methyl23dihydro1benzofuran6yl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CCOC1=CC2=C(C=C1C3C4=C(NNC4=NC(=O)CS3)C)OC(C2)C
CCOc1cc2CC(Oc2cc1C1SCC(=Nc2c1c(C)n(nH)2)O)C
InChI=1SC18H21N3O3Sc14231461159(2)2413(11)712(14)171610(3)202118(16)1915(22)82517h67917H458H213H3(H219202122)
MFCD20759270
ZINC000049548115
ZINC000049548121
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