Vitas-M small molecule compound
2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
Catalog ID
STL389028
SMILES O=C(Nc1cccc(c1)C)COc1ccc(cc1Cl)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 C32H34ClNO5 MW 548.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34ClNO5/c1-18-7-6-8-20(11-18)34-27(37)17-38-24-10-9-19(12-21(24)33)28-29-22(35)13-31(2,3)15-25(29)39-26-16-32(4,5)14-23(36)30(26)28/h6-12,28H,13-17H2,1-5H3,(H,34,37)InChIKey
HKJSROJYQPDTLZ-UHFFFAOYSA-NSynonyms
2(2chloro4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenoxy)N(3methylphenyl)acetamide
2(2chloro4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenoxy)N(3methylphenyl)acetamide
CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C)Cl
InChI=1SC32H34ClNO5c11876820(1118)3427(37)17382410919(1221(24)33)282922(35)1331(23)1525(29)39261632(45)1423(36)30(26)28h61228H1317H215H3(H3437)
MFCD04090054
ZINC000000987410
ZINC00987410
ZINC987410
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