Vitas-M small molecule compound
(E)-[2-(3,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][2-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK564621
SMILES CC(Oc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)Cc1ccc[nH+]c1)/[O-])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 C27H24Cl2N2O4 MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N2O4/c1-15(2)35-19-7-8-20(16(3)11-19)25(32)23-24(18-6-9-21(28)22(29)12-18)31(27(34)26(23)33)14-17-5-4-10-30-13-17/h4-13,15,24,32H,14H2,1-3H3/b25-23+InChIKey
NTKLXNZVCBJUFY-WJTDDFOZSA-NSynonyms
(4E)5(34DICHLOROPHENYL)4(HYDROXY(2METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(34dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl4(propan2yloxy)phenyl)methanolate
5(34DICHLOROPHENYL)3HYDROXY4(4ISOPROPOXY2METHYLBENZOYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
CC(Oc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)OC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)Cl)Cl)O
InChI=1SC27H24Cl2N2O4c115(2)35197820(16(3)1119)25(32)2324(186921(28)22(29)1218)31(27(34)26(23)33)14175410301317h413152432H14H213H3b2523+
MFCD18244579
ZINC000102368243
ZINC000102368246
Check stock
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Check stock on Vitas-MAvailable files
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