Vitas-M small molecule compound

methyl (2Z)-[2-(4-methoxyphenyl)hydrazinylidene][(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Catalog ID
STK765881
SMILES COC(=O)/C(=N/Nc1ccc(cc1)OC)/Sc1nncn1C

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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 C13H15N5O3S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O3S/c1-18-8-14-17-13(18)22-11(12(19)21-3)16-15-9-4-6-10(20-2)7-5-9/h4-8,15H,1-3H3/b16-11-
InChIKey
WLNIRBRRTJJFEO-WJDWOHSUSA-N
Synonyms

CN1C=NN=C1SC(=NNC2=CC=C(C=C2)OC)C(=O)OC
COC(=O)C(=NNc1ccc(cc1)OC)Sc1nncn1C
InChI=1SC13H15N5O3Sc1188141713(18)2211(12(19)213)161594610(202)759h4815H13H3b1611
methyl(2Z)(2(4methoxyphenyl)hydrazinylidene)((4methyl4H124triazol3yl)sulfanyl)ethanoate
METHYL(2Z)2((4METHOXYPHENYL)HYDRAZINYLIDENE)2((4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL(2Z)3((4METHOXYPHENYL)AMINO)2(4METHYL(124TRIAZOL3YL)THIO)3AZAPROP2ENOATE
MFCD02944544
ZINC000004573004
ZINC32313657

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Available files

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