Vitas-M small molecule compound
ethyl 4-[(4E)-4-(1H-indol-3-ylmethylidene)-3,5-dioxopyrazolidin-1-yl]benzoate
Catalog ID
STL432792
SMILES CCOC(=O)c1ccc(cc1)N1NC(=O)/C(=C\c2c[nH]c3c2cccc3)/C1=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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-2-28-21(27)13-7-9-15(10-8-13)24-20(26)17(19(25)23-24)11-14-12-22-18-6-4-3-5-16(14)18/h3-12,22H,2H2,1H3,(H,23,25)/b17-11+InChIKey
KCPYLFFAUKMJQE-GZTJUZNOSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)N2
CCOC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2c(nH)c3c2cccc3)C1=O
ethyl4((4E)4(1Hindol3ylmethylidene)35dioxopyrazolidin1yl)benzoate
InChI=1SC21H17N3O4c122821(27)137915(10813)2420(26)17(19(25)2324)1114122218643516(14)18h31222H2H21H3(H2325)b1711+
MFCD30711107
ZINC000001078716
ZINC1078716
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