Vitas-M small molecule compound

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

Catalog ID
STK218913
SMILES CCn1c(SCC(=O)Nc2cccc(c2)Br)nnc1CNC(=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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-3-27-18(12-23-20(29)15-7-4-6-14(2)10-15)25-26-21(27)30-13-19(28)24-17-9-5-8-16(22)11-17/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)
InChIKey
LFZOSOFHSCHBHG-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CNC(=O)C3=CC(=CC=C3)C
InChI=1SC21H22BrN5O2Sc132718(122320(29)1574614(2)1015)252621(27)301319(28)241795816(22)1117h411H31213H212H3(H2329)(H2428)
MFCD06000218
N((5((2((3BROMOPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(3BROMOANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000001074582
ZINC01074582
ZINC1074582

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Available files

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