Vitas-M small molecule compound
8-acetyl-5,7-dihydroxy-1-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551941
SMILES OC1CS(=O)(=O)CC1n1nc(c2c1C=C1Oc3c(C1(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 C22H22N2O8S MW 474.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O8S/c1-8-18(27)16(10(3)25)20-17(19(8)28)22(4)14(32-20)5-11-15(21(22)29)9(2)23-24(11)12-6-33(30,31)7-13(12)26/h5,12-13,26-28H,6-7H2,1-4H3InChIKey
CVAGWHDIFFNQHS-UHFFFAOYSA-NSynonyms
(4aR)8acetyl57dihydroxy1(4hydroxy11dioxidotetrahydrothiophen3yl)34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640261
8acetyl57dihydroxy1(4hydroxy11dioxidotetrahydrothiophen3yl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
8acetyl57dihydroxy1(4hydroxy11dioxothiolan3yl)34~(a)6trimethyl(1)benzofuro(32f)indazol4one
InChI=1SC22H22N2O8Sc1818(27)16(10(3)25)2017(19(8)28)22(4)14(3220)51115(21(22)29)9(2)2324(11)12633(3031)713(12)26h512132628H67H214H3
MFCD31758308
OC1CS(=O)(=O)CC1n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
ZINC001547138583
ZINC001547208902
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