Vitas-M small molecule compound
2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzenesulfonate
Catalog ID
STK143655
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(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 C31H34O7S MW 550.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34O7S/c1-18-7-10-20(11-8-18)39(34,35)38-23-12-9-19(13-24(23)36-6)27-28-21(32)14-30(2,3)16-25(28)37-26-17-31(4,5)15-22(33)29(26)27/h7-13,27H,14-17H2,1-6H3InChIKey
BZTBNYMHJDLMEE-UHFFFAOYSA-NSynonyms
(2methoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4methylbenzenesulfonate
2methoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C)OC
InChI=1SC31H34O7Sc11871020(11818)39(3435)382312919(1324(23)366)272821(32)1430(23)1625(28)37261731(45)1522(33)29(26)27h71327H1417H216H3
MFCD03159025
ZINC000098043452
ZINC98043452
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