Vitas-M small molecule compound
N-(2-chlorobenzyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406191
SMILES O=C(NCc1ccccc1Cl)CSc1nnc(n1C(C)C)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 C23H25ClN4O3S MW 473.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O3S/c1-15(2)28-22(16-8-9-19-20(12-16)31-11-5-10-30-19)26-27-23(28)32-14-21(29)25-13-17-6-3-4-7-18(17)24/h3-4,6-9,12,15H,5,10-11,13-14H2,1-2H3,(H,25,29)InChIKey
HUPQEQYGYVPAIM-UHFFFAOYSA-NSynonyms
CC(C)N1C(=NN=C1SCC(=O)NCC2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCCCO4
InChI=1SC23H25ClN4O3Sc115(2)2822(16891920(1216)31115103019)262723(28)321421(29)251317634718(17)24h34691215H510111314H212H3(H2529)
MFCD27220695
N((2chlorophenyl)methyl)2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)acetamide
N(2chlorobenzyl)2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064986902
ZINC64986902
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