Vitas-M small molecule compound

methyl 4-({[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK230474
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)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 C15H18N4O3S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O3S/c1-4-19-10(2)17-18-15(19)23-9-13(20)16-12-7-5-11(6-8-12)14(21)22-3/h5-8H,4,9H2,1-3H3,(H,16,20)
InChIKey
DDLDXQNJXKMNEN-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C
InChI=1SC15H18N4O3Sc141910(2)171815(19)23913(20)16127511(6812)14(21)223h58H49H213H3(H1620)
METHYL4((((4ETHYL5METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4ETHYL5METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD08069638
ZINC000004736019
ZINC04736019
ZINC4736019

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Available files

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