Vitas-M small molecule compound
2-bromo-N-[(4-ethyl-5-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK186732
SMILES COc1ccc(cc1)OCCSc1nnc(n1CC)CNC(=O)c1ccccc1Br
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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 C21H23BrN4O3S MW 491.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O3S/c1-3-26-19(14-23-20(27)17-6-4-5-7-18(17)22)24-25-21(26)30-13-12-29-16-10-8-15(28-2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,23,27)InChIKey
GRNFHMCMQHLDNG-UHFFFAOYSA-NSynonyms
2BROMON((4ETHYL5((2(4METHOXYPHENOXY)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((4ETHYL5(2(4METHOXYPHENOXY)ETHYLSULFANYL)124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br
InChI=1SC21H23BrN4O3Sc132619(142320(27)17645718(17)22)242521(26)301312291610815(282)91116h411H31214H212H3(H2327)
MFCD05998932
ZINC000002867057
ZINC02867057
ZINC2867057
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