Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552241
SMILES COc1ccc2c(c1)sc(n2)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)C)O)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 C26H21N3O6S MW 503.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6S/c1-10-21(31)19(12(3)30)23-20(22(10)32)26(4)17(35-23)9-15-18(24(26)33)11(2)28-29(15)25-27-14-7-6-13(34-5)8-16(14)36-25/h6-9,31-32H,1-5H3/t26-/m0/s1InChIKey
AOXWSGNFVWSQIZ-SANMLTNESA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy1(6methoxy13benzothiazol2yl)34~(a)6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy1(6methoxy13benzothiazol2yl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl57dihydroxy1(6methoxybenzo(d)thiazol2yl)34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640512
COc1ccc2c(c1)sc(n2)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
InChI=1SC26H21N3O6Sc11021(31)19(12(3)30)2320(22(10)32)26(4)17(3523)91518(24(26)33)11(2)2829(15)2527147613(345)816(14)3625h693132H15H3t26m0s1
ZINC001547138432
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