Vitas-M small molecule compound
5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-methylphenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733769
SMILES COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1ccc(cc1)C)/C(=O)C
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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 C20H21N5O2S MW 395.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2S/c1-13-5-9-16(10-6-13)21-23-19(14(2)26)28-20-24-22-18(25(20)3)15-7-11-17(27-4)12-8-15/h5-12,21H,1-4H3/b23-19+InChIKey
BYDMGZKSFHQOHZ-FCDQGJHFSA-NSynonyms
(5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)(1E)N(4METHYLANILINO)2OXOPROPANIMIDOTHIOATE
(E)5(4methoxyphenyl)4methyl4H124triazol3yl2oxoN(ptolyl)propanehydrazonothioate
5(4methoxyphenyl)4methyl4H124triazol3yl(1E)N(4methylphenyl)2oxopropanehydrazonothioate
CC1=CC=C(C=C1)NN=C(C(=O)C)SC2=NN=C(N2C)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1C)SC(=NNc1ccc(cc1)C)C(=O)C
InChI=1SC20H21N5O2Sc1135916(10613)212319(14(2)26)2820242218(25(20)3)1571117(274)12815h51221H14H3b2319+
MFCD02988437
ZINC000001297413
ZINC102659890
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