Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL026079
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1cccc(c1)C
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-3-25-20(15-6-4-5-14(2)11-15)23-24-21(25)29-13-19(26)22-16-7-8-17-18(12-16)28-10-9-27-17/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,22,26)InChIKey
BAFMGUCRUKOMNO-UHFFFAOYSA-NSynonyms
861138-23-0861138230
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)C
InChI=1SC21H22N4O3Sc132520(1564514(2)1115)232421(25)291319(26)2216781718(1216)281092717h481112H391013H212H3(H2226)
MFCD05536334
N(23DIHYDRO14BENZODIOXIN6YL)2((4ETHYL5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23dihydro14benzodioxin6yl)2((4ethyl5(3methylphenyl)4H124triazol3yl)sulfanyl)acetamide
N(23dihydrobenzo(b)(14)dioxin6yl)2((4ethyl5(mtolyl)4H124triazol3yl)thio)acetamide
N(2H3HBENZO(34E)14DIOXIN6YL)2(4ETHYL5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000005478067
ZINC05478067
ZINC5478067
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