Vitas-M small molecule compound
(E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][2-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK563036
SMILES COc1ccc(cc1OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC(C)C)/[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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-17(2)37-21-9-10-22(18(3)13-21)27(32)25-26(20-8-11-23(35-4)24(14-20)36-5)31(29(34)28(25)33)16-19-7-6-12-30-15-19/h6-15,17,26,32H,16H2,1-5H3/b27-25+InChIKey
WZVNPLFCSIYRTR-IMVLJIQESA-NSynonyms
(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(2METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl4(propan2yloxy)phenyl)methanolate
5(34DIMETHOXYPHENYL)3HYDROXY4(4ISOPROPOXY2METHYLBENZOYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CC1=C(C=CC(=C1)OC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC)O
COc1ccc(cc1OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OC(C)C)(O)
InChI=1SC29H30N2O6c117(2)372191022(18(3)1321)27(32)2526(2081123(354)24(1420)365)31(29(34)28(25)33)16197612301519h615172632H16H215H3b2725+
MFCD18244197
ZINC000102517328
ZINC000102517338
Check stock
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Check stock on Vitas-MAvailable files
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