Vitas-M small molecule compound
N-(4-bromo-2-methylphenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406045
SMILES O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2
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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 C21H21BrN4O3S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3S/c1-13-10-15(22)5-6-16(13)23-19(27)12-30-21-25-24-20(26(21)2)14-4-7-17-18(11-14)29-9-3-8-28-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,23,27)InChIKey
DUGLUJPYMDZENL-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H21BrN4O3Sc1131015(22)5616(13)2319(27)123021252420(26(21)2)14471718(1114)299382817h471011H38912H212H3(H2327)
MFCD27221233
N(4bromo2methylphenyl)2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)acetamide
N(4bromo2methylphenyl)2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064987241
ZINC64987241
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