Vitas-M small molecule compound
dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK841574
SMILES Clc1ccc(cc1)C1C(C(=O)OC(C)C)C(=O)CC(C1C(=O)OC(C)C)(C)O
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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 C21H27ClO6 MW 410.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3InChIKey
CTPJHIYBLCRVGW-UHFFFAOYSA-NSynonyms
472981-75-2472981752
CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)Cl
diisopropyl2(4chlorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
dipropan2yl2(4chlorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC21H27ClO6c111(2)2719(24)1715(23)1021(526)18(20(25)2812(3)4)16(17)136814(22)9713h691112161826H10H215H3
METHYLETHYL6(4CHLOROPHENYL)2HYDROXY2METHYL5((METHYLETHYL)OXYCARBONYL)4OXOCYCLOHEXANECARBOXYLATE
MFCD02046557
ZINC000000856665
ZINC000013372571
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