Vitas-M small molecule compound
(2Z,3Z)-2-(3,4-dimethoxybenzylidene)-3-(1H-1,2,4-triazol-5-ylimino)-2,3-dihydro-1H-inden-1-one
Catalog ID
STL416206
SMILES COc1ccc(cc1OC)/C=C/1\C(=O)c2c(\C1=N\c1[nH]ncn1)cccc2
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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 C20H16N4O3 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3/c1-26-16-8-7-12(10-17(16)27-2)9-15-18(23-20-21-11-22-24-20)13-5-3-4-6-14(13)19(15)25/h3-11H,1-2H3,(H,21,22,24)/b15-9-,23-18-InChIKey
FPKTXMLDRRGPEI-JKEKRAIHSA-NSynonyms
(2Z3Z)2((34dimethoxyphenyl)methylidene)3(1H124triazol5ylimino)inden1one
(2Z3Z)2(34dimethoxybenzylidene)3(1H124triazol5ylimino)23dihydro1Hinden1one
COC1=C(C=C(C=C1)C=C2C(=NC3=NC=NN3)C4=CC=CC=C4C2=O)OC
COc1ccc(cc1OC)C=C1C(=O)c2c(C1=Nc1(nH)ncn1)cccc2
InChI=1SC20H16N4O3c126168712(1017(16)272)91518(23202111222420)13534614(13)19(15)25h311H12H3(H212224)b1592318
MFCD30707030
ZINC000220961912
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