Vitas-M small molecule compound

2-methyl-N-{[4-methyl-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

Catalog ID
STK139983
SMILES O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1C)CNC(=O)c1ccccc1C

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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 C23H27N5O2S MW 437.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O2S/c1-14-10-16(3)21(17(4)11-14)25-20(29)13-31-23-27-26-19(28(23)5)12-24-22(30)18-9-7-6-8-15(18)2/h6-11H,12-13H2,1-5H3,(H,24,30)(H,25,29)
InChIKey
MDCIYXAANOWZEB-UHFFFAOYSA-N
Synonyms

2METHYLN((4METHYL5((2OXO2((246TRIMETHYLPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2METHYLN((4METHYL5(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3C)C)C
InChI=1SC23H27N5O2Sc1141016(3)21(17(4)1114)2520(29)133123272619(28(23)5)122422(30)18976815(18)2h611H1213H215H3(H2430)(H2529)
MFCD04090937
N((5((2(MESITYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)2METHYLBENZAMIDE
ZINC000000687423
ZINC00687423
ZINC687423

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Available files

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