Vitas-M small molecule compound
2-[(E)-2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[1,5-d][1,4]benzoxazepine
Catalog ID
STL445199
SMILES c1csc(c1)/C=C/c1nc2n(n1)C=COc1c2cccc1
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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 C16H11N3OS MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3OS/c1-2-6-14-13(5-1)16-17-15(18-19(16)9-10-20-14)8-7-12-4-3-11-21-12/h1-11H/b8-7+InChIKey
QTDPREGPTFNGJK-BQYQJAHWSA-NSynonyms
2((E)2(thiophen2yl)ethenyl)(124)triazolo(15d)(14)benzoxazepine
2((E)2thiophen2ylethenyl)(124)triazolo(15d)(14)benzoxazepine
C1=CC=C2C(=C1)C3=NC(=NN3C=CO2)C=CC4=CC=CS4
c1csc(c1)C=Cc1nc2n(n1)C=COc1c2cccc1
InChI=1SC16H11N3OSc1261413(51)161715(1819(16)9102014)871243112112h111Hb87+
MFCD09697792
ZINC000025185583
ZINC25185583
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