Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK562268
SMILES CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[NH+]1CCOCC1)/[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 C27H31ClN2O5 MW 499.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O5/c1-17(2)35-22-9-6-20(16-18(22)3)25(31)23-24(19-4-7-21(28)8-5-19)30(27(33)26(23)32)11-10-29-12-14-34-15-13-29/h4-9,16-17,24,31H,10-15H2,1-3H3/b25-23+InChIKey
NFSQPANWEBXJSR-WJTDDFOZSA-NSynonyms
780790-34-3(4E)5(4CHLOROPHENYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
780790343
CC(Oc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)Cl)O)OC(C)C
InChI=1SC27H31ClN2O5c117(2)35229620(1618(22)3)25(31)2324(194721(28)8519)30(27(33)26(23)32)111029121434151329h4916172431H1015H213H3b2523+
MFCD18244010
ZINC000102377680
ZINC000102377682
Check stock
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Check stock on Vitas-MAvailable files
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