Vitas-M small molecule compound
2-[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
Catalog ID
STL484493
SMILES O=C(Nc1cccc(c1)C)COc1ccc(cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Br
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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 C28H26BrNO5 MW 536.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrNO5/c1-16-5-2-6-18(13-16)30-25(33)15-34-22-12-11-17(29)14-19(22)26-27-20(31)7-3-9-23(27)35-24-10-4-8-21(32)28(24)26/h2,5-6,11-14,26H,3-4,7-10,15H2,1H3,(H,30,33)InChIKey
ASDTWWYSSRURCI-UHFFFAOYSA-NSynonyms
2(4bromo2(18dioxo23456789octahydro1Hxanthen9yl)phenoxy)N(3methylphenyl)acetamide
2(4bromo2(18dioxo345679hexahydro2Hxanthen9yl)phenoxy)N(3methylphenyl)acetamide
CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC28H26BrNO5c11652618(1316)3025(33)153422121117(29)1419(22)262720(31)73923(27)3524104821(32)28(24)26h256111426H3471015H21H3(H3033)
MFCD03863641
ZINC000000665731
ZINC00665731
ZINC665731
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