Vitas-M small molecule compound

5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate

Catalog ID
STK682444
SMILES COc1ccc(c(c1)OS(=O)(=O)c1c(C)noc1C)C12CCCCC2C2(c3c(O1)cc(OC)cc3)CCCCC2

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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 C31H37NO7S MW 567.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO7S/c1-20-29(21(2)38-32-20)40(33,34)39-27-19-23(36-4)12-14-25(27)31-17-9-6-10-28(31)30(15-7-5-8-16-30)24-13-11-22(35-3)18-26(24)37-31/h11-14,18-19,28H,5-10,15-17H2,1-4H3
InChIKey
BDMDJOKHUCPXCX-UHFFFAOYSA-N
Synonyms

(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenyl)35dimethyl12oxazole4sulfonate
5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenyl35dimethyl12oxazole4sulfonate
CC1=C(C(=NO1)C)S(=O)(=O)OC2=C(C=CC(=C2)OC)C34CCCCC3C5(CCCCC5)C6=C(O4)C=C(C=C6)OC
InChI=1SC31H37NO7Sc12029(21(2)383220)40(3334)39271923(364)121425(27)3117961028(31)30(157581630)24131122(353)1826(24)3731h1114181928H5101517H214H3
MFCD03855932
ZINC000098005808
ZINC000098005811

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Available files

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