Vitas-M small molecule compound
6-hydroxy-7-{[4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl]methyl}-2-(propan-2-ylidene)-1-benzofuran-3(2H)-one
Catalog ID
STL425654
SMILES CC(=C1Oc2c(C1=O)ccc(c2CN1CCCN(CC1)S(=O)(=O)N1CCCCC1)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 C22H31N3O5S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O5S/c1-16(2)21-20(27)17-7-8-19(26)18(22(17)30-21)15-23-9-6-12-25(14-13-23)31(28,29)24-10-4-3-5-11-24/h7-8,26H,3-6,9-15H2,1-2H3InChIKey
OPGPXFANEAZFTF-UHFFFAOYSA-NSynonyms
1676072-42-61676072426
6hydroxy7((4(piperidin1ylsulfonyl)14diazepan1yl)methyl)2(propan2ylidene)1benzofuran3(2H)one
6hydroxy7((4(piperidin1ylsulfonyl)14diazepan1yl)methyl)2(propan2ylidene)benzofuran3(2H)one
6hydroxy7((4piperidin1ylsulfonyl14diazepan1yl)methyl)2propan2ylidene1benzofuran3one
CC(=C1C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCN(CC3)S(=O)(=O)N4CCCCC4)C
InChI=1SC22H31N3O5Sc116(2)2120(27)177819(26)18(22(17)3021)1523961225(141323)31(2829)24104351124h7826H36915H212H3
MFCD28986590
ZINC000218485233
ZINC218485233
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