Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406134
SMILES NC(=O)CSc1nnc(n1c1ccccc1)Cc1ccc2c(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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c21-18(25)13-28-20-23-22-19(24(20)15-5-2-1-3-6-15)12-14-7-8-16-17(11-14)27-10-4-9-26-16/h1-3,5-8,11H,4,9-10,12-13H2,(H2,21,25)InChIKey
GPUKTQRFZZXOBX-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl124triazol3yl)sulfanyl)acetamide
2((5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
C1COC2=C(C=C(C=C2)CC3=NN=C(N3C4=CC=CC=C4)SCC(=O)N)OC1
InChI=1SC20H20N4O3Sc2118(25)132820232219(24(20)155213615)1214781617(1114)2710492616h135811H49101213H2(H22125)
MFCD30704400
ZINC000101160544
ZINC101160544
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