Vitas-M small molecule compound
5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenyl thiophene-2-carboxylate
Catalog ID
STK773965
SMILES COc1ccc(c(c1)OC(=O)c1cccs1)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 C31H34O5S MW 518.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34O5S/c1-33-21-12-14-24(25(19-21)35-29(32)27-9-8-18-37-27)31-17-7-4-10-28(31)30(15-5-3-6-16-30)23-13-11-22(34-2)20-26(23)36-31/h8-9,11-14,18-20,28H,3-7,10,15-17H2,1-2H3InChIKey
AFHVWKPPAXORSD-UHFFFAOYSA-NSynonyms
(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenyl)thiophene2carboxylate
5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenylthiophene2carboxylate
COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OC(=O)C6=CC=CS6
InChI=1SC31H34O5Sc13321121424(25(1921)3529(32)2798183727)3117741028(31)30(155361630)23131122(342)2026(23)3631h891114182028H37101517H212H3
MFCD03855925
ZINC000008892154
ZINC000012371437
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