Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-ethyl-1'-[2-(morpholin-4-ium-4-yl)ethyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Catalog ID
STK586522
SMILES CCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CC[NH+]1CCOCC1
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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 C28H29N3O7 MW 519.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O7/c1-2-30-20-6-4-3-5-19(20)28(27(30)35)23(24(32)18-7-8-21-22(17-18)38-16-15-37-21)25(33)26(34)31(28)10-9-29-11-13-36-14-12-29/h3-8,17,32H,2,9-16H2,1H3/b24-23-InChIKey
KVRKWIVBGMFLRE-VHXPQNKSSA-NSynonyms
845650-27-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1ETHYL1(2MORPHOLIN4YLETHYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)23dihydro14benzodioxin6yl(1ethyl1(2(morpholin4ium4yl)ethyl)245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1ethyl1(2morpholin4ium4ylethyl)245trioxospiro(indole32pyrrolidine)3ylidene)methanolate
845650273
CCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)(O))C(=O)C(=O)N3CC(NH+)6CCOCC6
CCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)(O))C(=O)C(=O)N2CC(NH+)1CCOCC1
InChI=1SC28H29N3O7c123020643519(20)28(27(30)35)23(24(32)18782122(1718)3816153721)25(33)26(34)31(28)10929111336141229h381732H2916H21H3b2423
MFCD07201263
ZINC000102599895
ZINC000102599898
Check stock
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Check stock on Vitas-MAvailable files
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