Vitas-M small molecule compound

N,N'-(butane-1,4-diylbis{imino[(1E)-1-(2-ethoxyphenyl)-3-oxoprop-1-ene-3,2-diyl]})dibenzamide

Catalog ID
STK530766
SMILES CCOc1ccccc1/C=C(\C(=O)NCCCCNC(=O)/C(=C\c1ccccc1OCC)/NC(=O)c1ccccc1)/NC(=O)c1ccccc1

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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 C40H42N4O6 MW 674.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42N4O6/c1-3-49-35-23-13-11-21-31(35)27-33(43-37(45)29-17-7-5-8-18-29)39(47)41-25-15-16-26-42-40(48)34(44-38(46)30-19-9-6-10-20-30)28-32-22-12-14-24-36(32)50-4-2/h5-14,17-24,27-28H,3-4,15-16,25-26H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/b
InChIKey
ADIVCRNOGZUTQB-SWMYPXFDSA-N
Synonyms

CCOC1=CC=CC=C1C=C(C(=O)NCCCCNC(=O)C(=CC2=CC=CC=C2OCC)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
CCOc1ccccc1C=C(C(=O)NCCCCNC(=O)C(=Cc1ccccc1OCC)NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChI=1SC40H42N4O6c1349352313112131(35)2733(4337(45)29177581829)39(47)41251516264240(48)34(4438(46)301996102030)28322212142436(32)5042h51417242728H3415162526H212H3(H4147)(H4248)(H4345)(H4446)b3327+3428+
MFCD00304491
N((E)3(4(((E)2BENZAMIDO3(2ETHOXYPHENYL)PROP2ENOYL)AMINO)BUTYLAMINO)1(2ETHOXYPHENYL)3OXOPROP1EN2YL)BENZAMIDE
NN((1E1E)(butane14diylbis(azanediyl))bis(1(2ethoxyphenyl)3oxoprop1ene32diyl))dibenzamide
NN(butane14diylbis(imino((1E)1(2ethoxyphenyl)3oxoprop1ene32diyl)))dibenzamide
ZINC000097966372
ZINC97966372

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Available files

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