Vitas-M small molecule compound
2,2'-{[4-(2-chloroethyl)phenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)
Catalog ID
STK528599
SMILES ClCCc1ccc(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=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 C25H31ClO4 MW 430.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClO4/c1-24(2)11-17(27)22(18(28)12-24)21(16-7-5-15(6-8-16)9-10-26)23-19(29)13-25(3,4)14-20(23)30/h5-8,21-23H,9-14H2,1-4H3InChIKey
VJGDPBSZLOKGOT-UHFFFAOYSA-NSynonyms
317843-82-62((4(2CHLOROETHYL)PHENYL)(44DIMETHYL26DIOXOCYCLOHEXYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
22((4(2chloroethyl)phenyl)methanediyl)bis(55dimethylcyclohexane13dione)
22((4(2chloroethyl)phenyl)methylene)bis(55dimethylcyclohexane13dione)
317843826
CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)CCCl)C
InChI=1SC25H31ClO4c124(2)1117(27)22(18(28)1224)21(167515(6816)91026)2319(29)1325(34)1420(23)30h582123H914H214H3
MFCD00698890
ZINC000100682410
ZINC04730603
ZINC100682410
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