Vitas-M small molecule compound
{(2R,2'R,5'R,6'S,8a'S)-6'-(formyloxy)-5-[2-(formyloxy)ethyl]-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl}dimethanediyl diformate
Catalog ID
STL547254
SMILES O=COCCC1(COC=O)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)COC=O)OC=O
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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 C24H36O9 MW 468.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O9/c1-18-4-5-19-21(2,12-30-15-26)20(32-17-28)6-7-22(19,3)24(18)9-8-23(33-24,13-31-16-27)10-11-29-14-25/h14-20H,4-13H2,1-3H3/t18-,19?,20+,21+,22+,23?,24-/m1/s1InChIKey
ZXRGOMJMRQGALF-DTTGIDIWSA-NSynonyms
((1R2R5S5R6S8aS)6(formyloxy)5(2(formyloxy)ethyl)258atrimethyldecahydro2H3Hspiro(furan21naphthalene)55diyl)bis(methylene)diformate
((2R2R5R6S8aS)6(formyloxy)5(2(formyloxy)ethyl)258atrimethyldecahydro2H3Hspiro(furan21naphthalene)55diyl)dimethanediyldiformate
135639763
2((3~(S)4~(R)7~(R)8~(R)8~(a)~(S))3formyloxy24bis(formyloxymethyl)478~(a)trimethylspiro(234~(a)567hexahydro1~(H)naphthalene85oxolane)2yl)ethylformate
InChI=1SC24H36O9c118451921(212301526)20(321728)6722(193)24(18)9823(332413311627)1011291425h1420H413H213H3t1819?20+21+22+23?24m1s1
MFCD01546754
O=COCC(C@)1(COC=O)CC(C@@)2(O1)(C@H)(C)CCC1(C@)2(C)CC(C@@H)((C@@)1(C)COC=O)OC=O
ZINC000012877139
ZINC000035805314
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