Vitas-M small molecule compound

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]acetamide

Catalog ID
STL313506
SMILES O=C(Nc1[nH]nc(n1)C(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 C16H20N4O3 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3/c1-10(2)15-18-16(20-19-15)17-14(21)9-11-4-5-12-13(8-11)23-7-3-6-22-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
YLEKBUHGLYHLFA-UHFFFAOYSA-N
Synonyms
1574335-13-9
1574335139
2(34dihydro2H15benzodioxepin7yl)N(3(propan2yl)1H124triazol5yl)acetamide
2(34dihydro2H15benzodioxepin7yl)N(5propan2yl1H124triazol3yl)acetamide
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)N(5isopropyl1H124triazol3yl)acetamide
CC(C)C1=NC(=NN1)NC(=O)CC2=CC3=C(C=C2)OCCCO3
InChI=1SC16H20N4O3c110(2)151816(201915)1714(21)911451213(811)237362212h45810H3679H212H3(H21718192021)
MFCD28030147
O=C(Nc1(nH)nc(n1)C(C)C)Cc1ccc2c(c1)OCCCO2
O=C(Nc1n(nH)c(n1)C(C)C)Cc1ccc2c(c1)OCCCO2
ZINC000095475591
ZINC95475591

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Available files

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