Vitas-M small molecule compound
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1H-tetrazol-5-yl)acetamide
Catalog ID
STK691326
SMILES O=C(Nc1nnn[nH]1)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 C12H13N5O3 MW 275.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O3/c18-11(13-12-14-16-17-15-12)7-8-2-3-9-10(6-8)20-5-1-4-19-9/h2-3,6H,1,4-5,7H2,(H2,13,14,15,16,17,18)InChIKey
PQSQPMHTQXBXSJ-UHFFFAOYSA-NSynonyms
2(34dihydro2H15benzodioxepin7yl)N(1Htetrazol5yl)acetamide
2(34dihydro2H15benzodioxepin7yl)N(2Htetrazol5yl)acetamide
C1COC2=C(C=C(C=C2)CC(=O)NC3=NNN=N3)OC1
InChI=1SC12H13N5O3c1811(13121416171512)7823910(68)20514199h236H1457H2(H2131415161718)
MFCD09064324
O=C(Nc1nnn(nH)1)Cc1ccc2c(c1)OCCCO2
ZINC000012375094
ZINC12375094
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