Vitas-M small molecule compound

6-tert-butyl-4-{[(E)-(4-methoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one

Catalog ID
STK926141
SMILES CSc1nnc(c(=O)n1/N=C/c1ccc(cc1)OC)C(C)(C)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 C16H20N4O2S MW 332.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O2S/c1-16(2,3)13-14(21)20(15(23-5)19-18-13)17-10-11-6-8-12(22-4)9-7-11/h6-10H,1-5H3/b17-10+
InChIKey
JXTQZEIULXAAMX-LICLKQGHSA-N
Synonyms
325767-18-8
(E)6(tertbutyl)4((4methoxybenzylidene)amino)3(methylthio)124triazin5(4H)one
325767188
4((1E)2(4METHOXYPHENYL)1AZAVINYL)6(TERTBUTYL)3METHYLTHIO124TRIAZIN5ONE
6tertbutyl4(((E)(4methoxyphenyl)methylidene)amino)3(methylsulfanyl)124triazin5(4H)one
6TERTBUTYL4((4METHOXYBENZYLIDENE)AMINO)3(METHYLTHIO)124TRIAZIN5(4H)ONE
6TERTBUTYL4((E)(4METHOXYPHENYL)METHYLIDENEAMINO)3METHYLSULFANYL124TRIAZIN5ONE
CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC=C(C=C2)OC)SC
CSc1nnc(c(=O)n1N=Cc1ccc(cc1)OC)C(C)(C)C
InChI=1SC16H20N4O2Sc116(23)1314(21)20(15(235)191813)1710116812(224)9711h610H15H3b1710+
MFCD01410082
ZINC000000238538
ZINC33295831

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.