Vitas-M small molecule compound
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
STK156900
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)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 C30H32O6S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32O6S/c1-18-6-12-21(13-7-18)37(33,34)36-20-10-8-19(9-11-20)26-27-22(31)14-29(2,3)16-24(27)35-25-17-30(4,5)15-23(32)28(25)26/h6-13,26H,14-17H2,1-5H3InChIKey
ODZFJLKSIYTBHF-UHFFFAOYSA-NSynonyms
(4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4methylbenzenesulfonate
4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
InChI=1SC30H32O6Sc11861221(13718)37(3334)362010819(91120)262722(31)1429(23)1624(27)35251730(45)1523(32)28(25)26h61326H1417H215H3
MFCD01963956
ZINC000009720864
ZINC09720864
ZINC9720864
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