Vitas-M small molecule compound

(E)-[2-(3,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK593446
SMILES CC(Oc1ccc(cc1)/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 C26H22Cl2N2O4 MW 497.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O4/c1-15(2)34-19-8-5-17(6-9-19)24(31)22-23(18-7-10-20(27)21(28)12-18)30(26(33)25(22)32)14-16-4-3-11-29-13-16/h3-13,15,23,31H,14H2,1-2H3/b24-22+
InChIKey
XIKKWVMYCOSGGR-ZNTNEXAZSA-N
Synonyms

(4E)5(34DICHLOROPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)45dioxo1(pyridin1ium3ylmethyl)pyrrolidin3ylidene)(4propan2yloxyphenyl)methanolate
(E)(2(34dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)Cl)Cl)(O)
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)Cc1ccc(nH+)c1)(O))C
InChI=1SC26H22Cl2N2O4c115(2)34198517(6919)24(31)2223(1871020(27)21(28)1218)30(26(33)25(22)32)14164311291316h313152331H14H212H3b2422+
MFCD07210904
ZINC000102368552
ZINC000102368555

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Available files

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