Vitas-M small molecule compound

N-{[5-({2-[(4-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide

Catalog ID
STK061596
SMILES O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1C)CNC(=O)c1cccc(c1)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 C21H22ClN5O2S MW 443.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2S/c1-13-5-4-6-15(9-13)20(29)23-11-18-25-26-21(27(18)3)30-12-19(28)24-17-8-7-16(22)10-14(17)2/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)
InChIKey
FGRZDHQFZQGZBH-UHFFFAOYSA-N
Synonyms
591764-18-0
591764180
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Cl)C
InChI=1SC21H22ClN5O2Sc11354615(913)20(29)231118252621(27(18)3)301219(28)24178716(22)1014(17)2h410H1112H213H3(H2329)(H2428)
MFCD03725722
N((5((2((4CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5((2((4chloro2methylphenyl)amino)2oxoethyl)thio)4methyl4H124triazol3yl)methyl)3methylbenzamide
N((5(2(4CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1C)CNC(=O)c1cccc(c1)C
STK061596
ZINC000002425242
ZINC02425242
ZINC2425242

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Available files

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