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 chloroacetate
Catalog ID
STL526272
SMILES ClCC(=O)O[C@H]1CC(=C2C([C@@H]3C1[C@H](C)C(=O)O3)C(=CC2=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 C17H19ClO5 MW 338.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClO5/c1-7-4-10(19)13-8(2)5-11(22-12(20)6-18)15-9(3)17(21)23-16(15)14(7)13/h4,9,11,14-16H,5-6H2,1-3H3/t9-,11-,14?,15?,16+/m0/s1InChIKey
NWASYGSCEIZROR-VIANXAJASA-NSynonyms
((3~(S)4~(S)9~(b)~(R))369trimethyl27dioxo33~(a)459~(a)9~(b)hexahydroazuleno(45b)furan4yl)2chloroacetate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2chloroacetate
(3S4S9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylchloroacetate
86809360
ClCC(=O)O(C@H)1CC(=C2(C@@H)((C@@H)3(C@@H)1(C@H)(C)C(=O)O3)C(=CC2=O)C)C
InChI=1SC17H19ClO5c17410(19)138(2)511(2212(20)618)159(3)17(21)2316(15)14(7)13h49111416H56H213H3t91114?15?16+m0s1
MFCD02184575
ZINC000006183812
ZINC000100745159
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