Vitas-M small molecule compound
2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-methylbenzoate
Catalog ID
STK143644
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)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 C33H36O6 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36O6/c1-7-37-25-14-20(11-12-24(25)39-31(36)21-10-8-9-19(2)13-21)28-29-22(34)15-32(3,4)17-26(29)38-27-18-33(5,6)16-23(35)30(27)28/h8-14,28H,7,15-18H2,1-6H3InChIKey
OKSNPBILRXCMRL-UHFFFAOYSA-NSynonyms
(2ethoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)3methylbenzoate
2ethoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl3methylbenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC(=O)C5=CC(=CC=C5)C
InChI=1SC33H36O6c1737251420(111224(25)3931(36)21108919(2)1321)282922(34)1532(34)1726(29)38271833(56)1623(35)30(27)28h81428H71518H216H3
MFCD06067901
ZINC000009601508
ZINC09601508
ZINC9601508
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