Vitas-M small molecule compound

(E)-{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STL050997
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-20(2)37-24-12-8-22(9-13-24)27(33)25-26(21-6-10-23(11-7-21)30(3,4)5)32(29(35)28(25)34)15-14-31-16-18-36-19-17-31/h6-13,20,26,33H,14-19H2,1-5H3/b27-25+
InChIKey
QBRKXJHOBHDVMN-IMVLJIQESA-N
Synonyms
371141-66-1
(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
371141661
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)C(C)(C)C)O
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC(NH+)1CCOCC1)(O))C
InChI=1SC30H38N2O5c120(2)372412822(91324)27(33)2526(2161023(11721)30(34)5)32(29(35)28(25)34)151431161836191731h613202633H1419H215H3b2725+
MFCD18249366
ZINC000102368597
ZINC000102368599

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Available files

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