Vitas-M small molecule compound
2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl dimethylcarbamate
Catalog ID
STK050437
SMILES COc1cc(ccc1OC(=O)N(C)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 C27H33NO6 MW 467.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO6/c1-26(2)11-16(29)23-20(13-26)33-21-14-27(3,4)12-17(30)24(21)22(23)15-8-9-18(19(10-15)32-7)34-25(31)28(5)6/h8-10,22H,11-14H2,1-7H3InChIKey
OCIFZBRXMKCAFM-UHFFFAOYSA-NSynonyms
6270-61-7(2methoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)NNdimethylcarbamate
2methoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyldimethylcarbamate
6270617
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC(=O)N(C)C)OC)C(=O)C1)C
COc1cc(ccc1OC(=O)N(C)C)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC27H33NO6c126(2)1116(29)2320(1326)33211427(34)1217(30)24(21)22(23)158918(19(1015)327)3425(31)28(5)6h81022H1114H217H3
MFCD02221264
STK050437
ZINC000000894910
ZINC00894910
ZINC894910
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