Vitas-M small molecule compound
(3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-chlorobenzoate
Catalog ID
STL526277
SMILES O=C1O[C@H]2[C@H]([C@@H]1C)[C@H](CC(=C1[C@@H]2C(=CC1=O)C)C)OC(=O)c1ccccc1Cl
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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 C22H21ClO5 MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClO5/c1-10-8-15(24)17-11(2)9-16(19-12(3)21(25)28-20(19)18(10)17)27-22(26)13-6-4-5-7-14(13)23/h4-8,12,16,18-20H,9H2,1-3H3/t12-,16-,18-,19+,20+/m0/s1InChIKey
NETASXRBGMXMDT-DJKGFLTMSA-NSynonyms
956333-27-0((3~(S)3~(a)~(R)4~(S)9~(a)~(S)9~(b)~(R))369trimethyl27dioxo33~(a)459~(a)9~(b)hexahydroazuleno(45b)furan4yl)2chlorobenzoate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2chlorobenzoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2chlorobenzoate
11873374
956333270
InChI=1SC22H21ClO5c110815(24)1711(2)916(1912(3)21(25)2820(19)18(10)17)2722(26)13645714(13)23h4812161820H9H213H3t12161819+20+m0s1
MFCD02057409
O=C1O(C@H)2(C@H)((C@@H)1C)(C@H)(CC(=C1(C@@H)2C(=CC1=O)C)C)OC(=O)c1ccccc1Cl
ZINC000006950409
ZINC6950409
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