Vitas-M small molecule compound
9-(3-bromo-5-ethoxy-4-propoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198850
SMILES CCCOc1c(Br)cc(cc1OCC)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 C28H35BrO5 MW 531.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35BrO5/c1-7-9-33-26-17(29)10-16(11-20(26)32-8-2)23-24-18(30)12-27(3,4)14-21(24)34-22-15-28(5,6)13-19(31)25(22)23/h10-11,23H,7-9,12-15H2,1-6H3InChIKey
WHBXUZUIKZOWHD-UHFFFAOYSA-NSynonyms
9(3bromo5ethoxy4propoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3bromo5ethoxy4propoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CCCOC1=C(C=C(C=C1Br)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OCC
InChI=1SC28H35BrO5c179332617(29)1016(1120(26)3282)232418(30)1227(34)1421(24)34221528(56)1319(31)25(22)23h101123H791215H216H3
MFCD03231717
ZINC000002075908
ZINC02075908
ZINC2075908
Check stock
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