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-(4-fluorobenzyl)acetamide
Catalog ID
STL406084
SMILES O=C(NCc1ccc(cc1)F)CSc1nnc(n1C1CC1)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 C23H23FN4O3S MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN4O3S/c24-17-5-2-15(3-6-17)13-25-21(29)14-32-23-27-26-22(28(23)18-7-8-18)16-4-9-19-20(12-16)31-11-1-10-30-19/h2-6,9,12,18H,1,7-8,10-11,13-14H2,(H,25,29)InChIKey
LRLSRBWXRMYMIJ-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)N((4fluorophenyl)methyl)acetamide
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)N(4fluorobenzyl)acetamide
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)NCC5=CC=C(C=C5)F)OC1
InChI=1SC23H23FN4O3Sc24175215(3617)132521(29)143223272622(28(23)187818)16491920(1216)31111103019h2691218H17810111314H2(H2529)
MFCD27221077
ZINC000064987164
ZINC64987164
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