Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl][2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL045008
SMILES Cc1cc(OCc2ccccc2)ccc1/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)Cc1ccc[nH+]c1)/[O-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C35H34N2O4 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O4/c1-23-19-28(41-22-24-9-6-5-7-10-24)16-17-29(23)32(38)30-31(26-12-14-27(15-13-26)35(2,3)4)37(34(40)33(30)39)21-25-11-8-18-36-20-25/h5-20,31,38H,21-22H2,1-4H3/b32-30+InChIKey
QWHIRKCRCIJDCR-NHQGMKOOSA-NSynonyms
500275-63-8(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
500275638
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC=C(C=C5)C(C)(C)C)(O)
Cc1cc(OCc2ccccc2)ccc1C(=C1C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC35H34N2O4c1231928(41222496571024)161729(23)32(38)3031(26121427(151326)35(23)4)37(34(40)33(30)39)212511818362025h5203138H2122H214H3b3230+
MFCD18248539
ZINC000102876528
ZINC000102876535
Check stock
See real-time availability and sample size for STL045008 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.