Vitas-M small molecule compound

6-(3,4-dimethoxybenzyl)-3-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one

Catalog ID
STK806330
SMILES COc1ccc(cc1OC)/C=N/Nc1[nH]nc(c(=O)n1)Cc1ccc(c(c1)OC)OC

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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 C21H23N5O5 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5/c1-28-16-7-5-13(10-18(16)30-3)9-15-20(27)23-21(26-24-15)25-22-12-14-6-8-17(29-2)19(11-14)31-4/h5-8,10-12H,9H2,1-4H3,(H2,23,25,26,27)/b22-12+
InChIKey
CLAWABVKOLLWNR-WSDLNYQXSA-N
Synonyms

(E)6(34dimethoxybenzyl)3(2(34dimethoxybenzylidene)hydrazinyl)124triazin5(2H)one
6((34dimethoxyphenyl)methyl)3((2E)2((34dimethoxyphenyl)methylidene)hydrazinyl)2H124triazin5one
6(34dimethoxybenzyl)3((2E)2(34dimethoxybenzylidene)hydrazinyl)124triazin5(2H)one
6(34DIMETHOXYBENZYL)3(N(1(34DIMETHOXYPHENYL)METH(E)YLIDENE)HYDRAZINO)2H(124)TRIAZIN5ONE
COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NN=CC3=CC(=C(C=C3)OC)OC)OC
COc1ccc(cc1OC)C=NNc1(nH)nc(c(=O)n1)Cc1ccc(c(c1)OC)OC
InChI=1SC21H23N5O5c128167513(1018(16)303)91520(27)2321(262415)252212146817(292)19(1114)314h581012H9H214H3(H223252627)b2212+
MFCD00473462
ZINC000013136588
ZINC35074371

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Available files

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