Vitas-M small molecule compound
N-[(4-ethyl-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245760
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1CC)CNC(=O)c1ccc2c(c1)OCO2
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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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-3-26-20(11-23-21(28)15-6-9-18-19(10-15)31-13-30-18)24-25-22(26)32-12-17(27)14-4-7-16(29-2)8-5-14/h4-10H,3,11-13H2,1-2H3,(H,23,28)InChIKey
UAADPVQANREFPR-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5(2(4METHOXYPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H22N4O5Sc132620(112321(28)15691819(1015)31133018)242522(26)321217(27)144716(292)8514h410H31113H212H3(H2328)
MFCD08670473
N((4ETHYL5((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ethyl5(2(4methoxyphenyl)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328027
ZINC09328027
ZINC9328027
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