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-bromobenzoate
Catalog ID
STL010672
SMILES O=C1O[C@H]2[C@H]([C@@H]1C)[C@H](CC(=C1[C@@H]2C(=CC1=O)C)C)OC(=O)c1ccccc1Br
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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 C22H21BrO5 MW 445.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrO5/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
NLMRMQSEMQXYRV-DJKGFLTMSA-NSynonyms
956983-13-4((3S3aR4S9aS9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)2bromobenzoate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2bromobenzoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2bromobenzoate
956983134
CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OC(=O)C4=CC=CC=C4Br
InChI=1SC22H21BrO5c110815(24)1711(2)916(1912(3)21(25)2820(19)18(10)17)2722(26)13645714(13)23h4812161820H9H213H3t12161819+20+m0s1
MFCD18247265
O=C1O(C@H)2(C@H)((C@@H)1C)(C@H)(CC(=C1(C@@H)2C(=CC1=O)C)C)OC(=O)c1ccccc1Br
ZINC000012659724
ZINC12659724
Check stock
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