Vitas-M small molecule compound
2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide
Catalog ID
STK114963
SMILES COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SCC(=O)NC1CCCCC1C
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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 C23H33N5O3S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N5O3S/c1-4-28-20(14-24-21(29)13-17-9-11-18(31-3)12-10-17)26-27-23(28)32-15-22(30)25-19-8-6-5-7-16(19)2/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,24,29)(H,25,30)InChIKey
ZKLBJECNZTULTH-UHFFFAOYSA-NSynonyms
2((4ETHYL5((((4METHOXYPHENYL)ACETYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(2METHYLCYCLOHEXYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2CCCCC2C)CNC(=O)CC3=CC=C(C=C3)OC
InChI=1SC23H33N5O3Sc142820(142421(29)131791118(313)121017)262723(28)321522(30)2519865716(19)2h9121619H481315H213H3(H2429)(H2530)
MFCD03864721
N((4ETHYL5(2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)2(4METHOXYPHENYL)ACETAMIDE
ZINC000000686700
ZINC000008400772
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