Vitas-M small molecule compound
5-methoxy-2-(6-methoxy-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK682441
SMILES COc1ccc(c(c1)OS(=O)(=O)c1ccc(cc1)C)C12CCCC2C2(c3c(O1)cc(OC)cc3)CCCC2
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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 C31H34O6S MW 534.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34O6S/c1-21-8-12-24(13-9-21)38(32,33)37-28-20-23(35-3)11-15-26(28)31-18-6-7-29(31)30(16-4-5-17-30)25-14-10-22(34-2)19-27(25)36-31/h8-15,19-20,29H,4-7,16-18H2,1-3H3InChIKey
IYSQEMUKIAREPI-UHFFFAOYSA-NSynonyms
(5methoxy2(6methoxyspiro(1239atetrahydrocyclopenta(b)chromene91cyclopentane)3ayl)phenyl)4methylbenzenesulfonate
5methoxy2(6methoxy1239atetrahydro3aHspiro(cyclopenta(b)chromene91cyclopentan)3ayl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)OC)C34CCCC3C5(CCCC5)C6=C(O4)C=C(C=C6)OC
InChI=1SC31H34O6Sc12181224(13921)38(3233)37282023(353)111526(28)31186729(31)30(16451730)25141022(342)1927(25)3631h815192029H471618H213H3
MFCD03855929
ZINC000098005797
ZINC000098005800
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