Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorobenzyl)acetamide
Catalog ID
STL415896
SMILES O=C(NCc1ccc(cc1)F)CSc1nnc(n1C(C)C)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 C24H27FN4O3S MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN4O3S/c1-16(2)29-22(13-18-6-9-20-21(12-18)32-11-3-10-31-20)27-28-24(29)33-15-23(30)26-14-17-4-7-19(25)8-5-17/h4-9,12,16H,3,10-11,13-15H2,1-2H3,(H,26,30)InChIKey
URTXBYZIBAVRTH-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4(propan2yl)4H124triazol3yl)sulfanyl)N(4fluorobenzyl)acetamide
2((5(34dihydro2H15benzodioxepin7ylmethyl)4propan2yl124triazol3yl)sulfanyl)N((4fluorophenyl)methyl)acetamide
CC(C)N1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)F)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC24H27FN4O3Sc116(2)2922(1318692021(1218)32113103120)272824(29)331523(30)2614174719(25)8517h491216H310111315H212H3(H2630)
MFCD30706858
ZINC000101160555
ZINC101160555
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