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-chloropropanoate
Catalog ID
STL537237
SMILES O=C(C(Cl)C)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[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 C18H21ClO5 MW 352.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClO5/c1-7-5-11(20)13-8(2)6-12(23-18(22)10(4)19)15-9(3)17(21)24-16(15)14(7)13/h5,9-10,12,14-16H,6H2,1-4H3/t9-,10?,12-,14-,15+,16+/m0/s1InChIKey
QBCFETYQOSWQTI-FYXPVSMYSA-NSynonyms
956923-98-1((3~(S)3~(a)~(R)4~(S)9~(a)~(S)9~(b)~(R))369trimethyl27dioxo33~(a)459~(a)9~(b)hexahydroazuleno(45b)furan4yl)2chloropropanoate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2chloropropanoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl2chloropropanoate
16400900
956923981
InChI=1SC18H21ClO5c17511(20)138(2)612(2318(22)10(4)19)159(3)17(21)2416(15)14(7)13h5910121416H6H214H3t910?121415+16+m0s1
MFCD05672206
O=C(C(Cl)C)O(C@H)1CC(=C2(C@@H)((C@@H)3(C@@H)1(C@H)(C)C(=O)O3)C(=CC2=O)C)C
ZINC000004073764
ZINC000004073765
Check stock
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