Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1'-[2-(morpholin-4-ium-4-yl)ethyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Catalog ID
STK591567
SMILES CCCN1c2ccccc2C2(C1=O)N(CC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1cc2c(o1)cccc2)/[O-]
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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 C29H29N3O6 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6/c1-2-11-31-21-9-5-4-8-20(21)29(28(31)36)24(25(33)23-18-19-7-3-6-10-22(19)38-23)26(34)27(35)32(29)13-12-30-14-16-37-17-15-30/h3-10,18,33H,2,11-17H2,1H3/b25-24-InChIKey
PZNIWLASVKYNPS-IZHYLOQSSA-NSynonyms
(E)1benzofuran2yl(1(2(morpholin4ium4yl)ethyl)245trioxo1propyl12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
CCCN1c2ccccc2C2(C1=O)N(CC(NH+)1CCOCC1)C(=O)C(=O)C2=C(c1cc2c(o1)cccc2)(O)
MFCD07198298
ZINC000009330118
ZINC000009330119
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