Vitas-M small molecule compound
{2-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]phenoxy}acetic acid
Catalog ID
STK330663
SMILES OC(=O)COc1ccccc1C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C
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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 C31H30N4O5 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O5/c1-20-27(30(38)34(32(20)3)22-13-7-5-8-14-22)29(24-17-11-12-18-25(24)40-19-26(36)37)28-21(2)33(4)35(31(28)39)23-15-9-6-10-16-23/h5-18,29H,19H2,1-4H3,(H,36,37)InChIKey
JSMGLDZUHVRZCI-UHFFFAOYSA-NSynonyms
(2(bis(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)methyl)phenoxy)aceticacid
2(2(bis(15dimethyl3oxo2phenylpyrazol4yl)methyl)phenoxy)aceticacid
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3OCC(=O)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC31H30N4O5c12027(30(38)34(32(20)3)22137581422)29(241711121825(24)401926(36)37)2821(2)33(4)35(31(28)39)231596101623h51829H19H214H3(H3637)
MFCD09962285
ZINC000102037451
ZINC102037451
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