Vitas-M small molecule compound
2-(2-bromo-6-ethoxy-4-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}phenoxy)-N-cyclohexylacetamide
Catalog ID
STK511136
SMILES CCOc1cc(CNn2c(C)nnc2S)cc(c1OCC(=O)NC1CCCCC1)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 C20H28BrN5O3S MW 498.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28BrN5O3S/c1-3-28-17-10-14(11-22-26-13(2)24-25-20(26)30)9-16(21)19(17)29-12-18(27)23-15-7-5-4-6-8-15/h9-10,15,22H,3-8,11-12H2,1-2H3,(H,23,27)(H,25,30)InChIKey
IGJKOLQPWFWAMG-UHFFFAOYSA-NSynonyms
2(2bromo6ethoxy4(((3methyl5sulfanyl4H124triazol4yl)amino)methyl)phenoxy)Ncyclohexylacetamide
2(2BROMO6ETHOXY4(((3METHYL5SULFANYLIDENE1H124TRIAZOL4YL)AMINO)METHYL)PHENOXY)NCYCLOHEXYLACETAMIDE
CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C)Br)OCC(=O)NC3CCCCC3
InChI=1SC20H28BrN5O3Sc1328171014(11222613(2)242520(26)30)916(21)19(17)291218(27)23157546815h9101522H381112H212H3(H2327)(H2530)
MFCD04150920
ZINC000000679655
ZINC00679655
ZINC679655
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