Vitas-M small molecule compound

(2E,5E)-2,5-bis[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzylidene]cyclopentanone

Catalog ID
STL399446
SMILES COc1ccc(cc1Cn1cccn1)/C=C/1\CC/C(=C\c2ccc(c(c2)Cn2cccn2)OC)/C1=O

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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 C29H28N4O3 MW 480.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O3/c1-35-27-9-5-21(17-25(27)19-32-13-3-11-30-32)15-23-7-8-24(29(23)34)16-22-6-10-28(36-2)26(18-22)20-33-14-4-12-31-33/h3-6,9-18H,7-8,19-20H2,1-2H3/b23-15+,24-16+
InChIKey
WCIHYANSSPDYMO-DFEHQXHXSA-N
Synonyms
957693-91-3
(2E5E)25BIS((4METHOXY3(PYRAZOL1YLMETHYL)PHENYL)METHYLIDENE)CYCLOPENTAN1ONE
(2E5E)25BIS(4METHOXY3(1HPYRAZOL1YLMETHYL)BENZYLIDENE)CYCLOPENTANONE
957693913
COC1=C(C=C(C=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC)CN4C=CC=N4)C2=O)CN5C=CC=N5
COc1ccc(cc1Cn1cccn1)C=C1CCC(=Cc2ccc(c(c2)Cn2cccn2)OC)C1=O
InChI=1SC29H28N4O3c135279521(1725(27)1932133113032)15237824(29(23)34)162261028(362)26(1822)2033144123133h36918H781920H212H3b2315+2416+
MFCD04045512
ZINC000013120446
ZINC13120446

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Available files

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