Vitas-M small molecule compound
2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-iodo-2-methylphenyl)acetamide
Catalog ID
STK119435
SMILES COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SCC(=O)Nc1ccc(cc1C)I
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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 C23H26IN5O3S MW 579.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26IN5O3S/c1-4-29-20(13-25-21(30)12-16-5-8-18(32-3)9-6-16)27-28-23(29)33-14-22(31)26-19-10-7-17(24)11-15(19)2/h5-11H,4,12-14H2,1-3H3,(H,25,30)(H,26,31)InChIKey
UZACYBKCTXMOQL-UHFFFAOYSA-NSynonyms
2((4ETHYL5((((4METHOXYPHENYL)ACETYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(4IODO2METHYLPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)CNC(=O)CC3=CC=C(C=C3)OC
InChI=1SC23H26IN5O3Sc142920(132521(30)12165818(323)9616)272823(29)331422(31)261910717(24)1115(19)2h511H41214H213H3(H2530)(H2631)
MFCD03995989
N((4ETHYL5(2(4IODO2METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)2(4METHOXYPHENYL)ACETAMIDE
ZINC000002836583
ZINC2836583
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