Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-methyl-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
STL050913
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CC[NH+]1CCOCC1)/c1ccc2c(c1)OCCO2
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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 C27H27N3O7 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7/c1-28-19-5-3-2-4-18(19)27(26(28)34)22(23(31)17-6-7-20-21(16-17)37-15-14-36-20)24(32)25(33)30(27)9-8-29-10-12-35-13-11-29/h2-7,16,31H,8-15H2,1H3/b23-22-InChIKey
BUODDYKAVROQRX-FCQUAONHSA-NSynonyms
845664-51-9(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1METHYL1(2MORPHOLIN4YLETHYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)23dihydro14benzodioxin6yl(1methyl1(2(morpholin4ium4yl)ethyl)245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1methyl1(2morpholin4ium4ylethyl)245trioxospiro(indole32pyrrolidine)3ylidene)methanolate
(O)C(=C1C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CC(NH+)1CCOCC1)c1ccc2c(c1)OCCO2
845664519
CN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)(O))C(=O)C(=O)N3CC(NH+)6CCOCC6
InChI=1SC27H27N3O7c12819532418(19)27(26(28)34)22(23(31)17672021(1617)3715143620)24(32)25(33)30(27)9829101235131129h271631H815H21H3b2322
MFCD07208452
ZINC000102888005
ZINC000102888007
Check stock
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Check stock on Vitas-MAvailable files
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