Vitas-M small molecule compound
2-{5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-N-(3-methoxyphenyl)acetamide
Catalog ID
STK139670
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1CC)SCc1ccc(cc1)Br
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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 C20H21BrN4O2S MW 461.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O2S/c1-3-25-18(12-19(26)22-16-5-4-6-17(11-16)27-2)23-24-20(25)28-13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)InChIKey
SHODLCIJVBRCOL-UHFFFAOYSA-NSynonyms
2(5((4BROMOBENZYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
2(5((4BROMOPHENYL)METHYLSULFANYL)4ETHYL124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC(=O)NC3=CC(=CC=C3)OC
InChI=1SC20H21BrN4O2Sc132518(1219(26)221654617(1116)272)232420(25)2813147915(21)10814h411H31213H212H3(H2226)
MFCD05992731
ZINC000002860791
ZINC02860791
ZINC2860791
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