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-bromobutanoate
Catalog ID
STL002955
SMILES CCC(C(=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)Br
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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 C19H23BrO5 MW 411.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrO5/c1-5-11(20)19(23)24-13-7-9(3)14-12(21)6-8(2)15(14)17-16(13)10(4)18(22)25-17/h6,10-11,13,15-17H,5,7H2,1-4H3/t10-,11?,13-,15-,16+,17+/m0/s1InChIKey
PWDJYIKQWNCPJP-HIXQLWLASA-NSynonyms
956997-06-1((3S3aR4S9aS9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)2bromobutanoate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2bromobutanoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2bromobutanoate
956997061
CCC(C(=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)Br
CCC(C(=O)OC1CC(=C2C(C3C1C(C(=O)O3)C)C(=CC2=O)C)C)Br
InChI=1SC19H23BrO5c1511(20)19(23)241379(3)1412(21)68(2)15(14)1716(13)10(4)18(22)2517h61011131517H57H214H3t1011?131516+17+m0s1
MFCD05672221
ZINC000004073769
ZINC000004073770
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