Vitas-M small molecule compound
(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK624497
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[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 C24H24N2O3 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O3/c1-2-26-14-16(17-7-3-4-8-20(17)26)13-22-23(28)18-9-10-21(27)19(24(18)29-22)15-25-11-5-6-12-25/h3-4,7-10,13-14,27H,2,5-6,11-12,15H2,1H3/b22-13+InChIKey
VAJAEOOFQGHUQN-LPYMAVHISA-NSynonyms
929849-31-0(2E)2((1ethyl1Hindol3yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2E)2((1ethylindol3yl)methylidene)6hydroxy7(pyrrolidin1ylmethyl)1benzofuran3one
929849310
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCC5
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC24H24N2O3c12261416(17734820(17)26)132223(28)1891021(27)19(24(18)2922)152511561225h34710131427H256111215H21H3b2213+
MFCD09796592
ZINC000020649124
ZINC20649124
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