Vitas-M small molecule compound
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]acetamide
Catalog ID
STL315524
SMILES O=C(Nc1[nH]nc(n1)Cc1ccc(cc1)F)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 C20H19FN4O3 MW 382.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN4O3/c21-15-5-2-13(3-6-15)11-18-22-20(25-24-18)23-19(26)12-14-4-7-16-17(10-14)28-9-1-8-27-16/h2-7,10H,1,8-9,11-12H2,(H2,22,23,24,25,26)InChIKey
IXUWYKGPBBLKOR-UHFFFAOYSA-NSynonyms
1574311-19-51574311195
2(34dihydro2H15benzodioxepin7yl)N(3(4fluorobenzyl)1H124triazol5yl)acetamide
2(34dihydro2H15benzodioxepin7yl)N(5((4fluorophenyl)methyl)1H124triazol3yl)acetamide
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)N(5(4fluorobenzyl)1H124triazol3yl)acetamide
C1COC2=C(C=C(C=C2)CC(=O)NC3=NNC(=N3)CC4=CC=C(C=C4)F)OC1
InChI=1SC20H19FN4O3c21155213(3615)11182220(252418)2319(26)1214471617(1014)289182716h2710H1891112H2(H22223242526)
MFCD28027308
O=C(Nc1(nH)nc(n1)Cc1ccc(cc1)F)Cc1ccc2c(c1)OCCCO2
O=C(Nc1n(nH)c(n1)Cc1ccc(cc1)F)Cc1ccc2c(c1)OCCCO2
ZINC000095477119
ZINC95477119
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