Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STL406048
SMILES O=C(Nc1ccc(cc1)C)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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-14-4-7-16(8-5-14)22-19(26)13-29-21-24-23-20(25(21)2)15-6-9-17-18(12-15)28-11-3-10-27-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)InChIKey
XJGSSISZDSRKSP-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H22N4O3Sc1144716(8514)2219(26)132921242320(25(21)2)15691718(1215)28113102717h4912H3101113H212H3(H2226)
MFCD15078913
ZINC000033087493
ZINC33087493
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