Vitas-M small molecule compound

4-[(E)-2-(4-butylphenyl)ethenyl]-3-methylphenyl 1,4-bis{[(4-heptylphenyl)carbonyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate

Catalog ID
STK078754
SMILES CCCCCCCc1ccc(cc1)C(=O)Nc1c(cc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)c1ccc(cc1)CCCCCCC)C(=O)Oc1ccc(c(c1)C)/C=C/c1ccc(cc1)CCCC

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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 C62H66N2O6 MW 935.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C62H66N2O6/c1-5-8-11-13-15-20-44-29-34-48(35-30-44)60(67)63-54-41-53(62(69)70-50-39-38-47(42(4)40-50)33-28-46-26-24-43(25-27-46)19-10-7-3)57(56-55(54)58(65)51-22-17-18-23-52(51)59(56)66)64-61(68)49-36-31-45(32-37-49)21-16-14-12-9-6-2/h17-18,22-41
InChIKey
LJQUCLFXSYFGMW-PJJLUWSFSA-N
Synonyms

(4((E)2(4BUTYLPHENYL)ETHENYL)3METHYLPHENYL)14BIS((4HEPTYLBENZOYL)AMINO)910DIOXOANTHRACENE2CARBOXYLATE
4((E)2(4BUTYLPHENYL)ETHENYL)3METHYLPHENYL14BIS(((4HEPTYLPHENYL)CARBONYL)AMINO)910DIOXO910DIHYDROANTHRACENE2CARBOXYLATE
CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)C(=O)OC4=CC(=C(C=C4)C=CC5=CC=C(C=C5)CCCC)C)NC(=O)C6=CC=C(C=C6)CCCCCCC)C(=O)C7=CC=CC=C7C3=O
CCCCCCCc1ccc(cc1)C(=O)Nc1c(cc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)c1ccc(cc1)CCCCCCC)C(=O)Oc1ccc(c(c1)C)C=Cc1ccc(cc1)CCCC
InChI=1SC62H66N2O6c1581113152044293448(353044)60(67)63544153(62(69)7050393847(42(4)4050)332846262443(252746)191073)57(5655(54)58(65)512217182352(51)59(56)66)6461(68)49363145(323749)21161412962h17182241H5161921H214H3(H6367)(H6468)b3328+
MFCD08679770
STK078754
ZINC000150411384
ZINC150411384

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Available files

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