Vitas-M small molecule compound
(3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl benzenesulfonate
Catalog ID
STK021761
SMILES O=C1O[C@H]2C([C@@H]1C)[C@H](CC(=C1C2C(=CC1=O)C)C)OS(=O)(=O)c1ccccc1
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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 C21H22O6S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22O6S/c1-11-9-15(22)17-12(2)10-16(19-13(3)21(23)26-20(19)18(11)17)27-28(24,25)14-7-5-4-6-8-14/h4-9,13,16,18-20H,10H2,1-3H3/t13-,16-,18?,19?,20+/m0/s1InChIKey
JNNHWIKHVVSJOP-MELHMODFSA-NSynonyms
((3S4S9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)benzenesulfonate
(3S3aS4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylbenzenesulfonate
(3S4S9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylbenzenesulfonate
CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OS(=O)(=O)C4=CC=CC=C4
InChI=1SC21H22O6Sc111915(22)1712(2)1016(1913(3)21(23)2620(19)18(11)17)2728(2425)147546814h4913161820H10H213H3t131618?19?20+m0s1
MFCD13368293
O=C1O(C@H)2(C@H)((C@@H)1C)(C@H)(CC(=C1(C@@H)2C(=CC1=O)C)C)OS(=O)(=O)c1ccccc1
O=C1O(C@H)2C((C@@H)1C)(C@H)(CC(=C1C2C(=CC1=O)C)C)OS(=O)(=O)c1ccccc1
STK021761
ZINC000004027247
ZINC000096610931
Check stock
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Check stock on Vitas-MAvailable files
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