Vitas-M small molecule compound
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
Catalog ID
STL415838
SMILES O=C(CSc1nnc(n1C1CC1)c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)CC(O2)C
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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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-16-11-19-12-17(3-7-21(19)34-16)14-27-24(31)15-35-26-29-28-25(30(26)20-5-6-20)18-4-8-22-23(13-18)33-10-2-9-32-22/h3-4,7-8,12-13,16,20H,2,5-6,9-11,14-15H2,1H3,(H,27,31)InChIKey
BNQHDEGXUOFLEC-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)N((2methyl23dihydro1benzofuran5yl)methyl)acetamide
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)N((2methyl23dihydro1benzofuran5yl)methyl)acetamide
CC1CC2=C(O1)C=CC(=C2)CNC(=O)CSC3=NN=C(N3C4CC4)C5=CC6=C(C=C5)OCCCO6
InChI=1SC26H28N4O4Sc11611191217(3721(19)3416)142724(31)153526292825(30(26)205620)18482223(1318)3310293222h347812131620H2569111415H21H3(H2731)
MFCD27221306
ZINC000064987322
ZINC000064987323
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