Vitas-M small molecule compound

(2E,6E)-2,6-bis{[5-(4-bromophenyl)furan-2-yl]methylidene}-4-methylcyclohexanone

Catalog ID
STL069908
SMILES CC1C/C(=C\c2ccc(o2)c2ccc(cc2)Br)/C(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C1

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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 C29H22Br2O3 MW 578.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Br2O3/c1-18-14-21(16-25-10-12-27(33-25)19-2-6-23(30)7-3-19)29(32)22(15-18)17-26-11-13-28(34-26)20-4-8-24(31)9-5-20/h2-13,16-18H,14-15H2,1H3/b21-16+,22-17+
InChIKey
MDPNXSALBQJQKU-LPFJTETCSA-N
Synonyms

(2E6E)26bis((5(4bromophenyl)furan2yl)methylene)4methylcyclohexanone
(2E6E)26BIS((5(4BROMOPHENYL)FURAN2YL)METHYLIDENE)4METHYLCYCLOHEXAN1ONE
(2E6E)26bis((5(4bromophenyl)furan2yl)methylidene)4methylcyclohexanone
26BIS((5(4BROMOPHENYL)(2FURYL))METHYLENE)4METHYLCYCLOHEXAN1ONE
CC1CC(=CC2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)Br)C1
CC1CC(=Cc2ccc(o2)c2ccc(cc2)Br)C(=O)C(=Cc2ccc(o2)c2ccc(cc2)Br)C1
InChI=1SC29H22Br2O3c1181421(1625101227(3325)192623(30)7319)29(32)22(1518)1726111328(3426)204824(31)9520h2131618H1415H21H3b2116+2217+
MFCD03289089
ZINC000097968935
ZINC97968935

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Available files

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