Vitas-M small molecule compound
N-cyclohexyl-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK115521
SMILES COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SCC(=O)NC1CCCCC1
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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 C22H31N5O3S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O3S/c1-3-27-19(14-23-20(28)13-16-9-11-18(30-2)12-10-16)25-26-22(27)31-15-21(29)24-17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,23,28)(H,24,29)InChIKey
JVEKCFRVURUFBQ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)CC3=CC=C(C=C3)OC
InChI=1SC22H31N5O3Sc132719(142320(28)131691118(302)121016)252622(27)311521(29)24177546817h91217H381315H212H3(H2328)(H2429)
MFCD03864720
N((5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)2(4METHOXYPHENYL)ACETAMIDE
NCYCLOHEXYL2((4ETHYL5((((4METHOXYPHENYL)ACETYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
NCYCLOHEXYL2((4ETHYL5((((4METHOXYPHENYL)ACETYL)AMINO)METHYL)4H124TRIAZOL3YL)THIO)ACETAMIDE
ZINC000000686699
ZINC00686699
ZINC686699
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