Vitas-M small molecule compound

dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-(octyloxy)phenyl]propanoate}

Catalog ID
STL544678
SMILES CCCCCCCCOc1ccc(cc1)C(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)OCCCCCCCC)CC(=O)OC)CC(=O)OC

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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 C42H56O10 MW 720.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H56O10/c1-5-7-9-11-13-15-25-51-31-21-17-29(18-22-31)33(27-35(43)49-3)37-39(45)41(47)38(42(48)40(37)46)34(28-36(44)50-4)30-19-23-32(24-20-30)52-26-16-14-12-10-8-6-2/h17-24,33-34,45,48H,5-16,25-28H2,1-4H3
InChIKey
GPHLLQKPQKUOBL-UHFFFAOYSA-N
Synonyms
1676087-26-5
102564448
1676087265
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4(octyloxy)phenyl)propanoate)
InChI=1SC42H56O10c1579111315255131211729(182231)33(2735(43)493)3739(45)41(47)38(42(48)40(37)46)34(2836(44)504)30192332(242030)522616141210862h172433344548H5162528H214H3
methyl3(25dihydroxy4(3methoxy1(4octoxyphenyl)3oxopropyl)36dioxocyclohexa14dien1yl)3(4octoxyphenyl)propanoate
MFCD28985344
ZINC000217940254
ZINC000217940429

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Available files

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