Vitas-M small molecule compound
4-(1,3-benzoxazol-2-ylsulfanyl)but-2-yn-1-yl 3-nitrobenzoate
Catalog ID
STK177487
SMILES O=C(c1cccc(c1)[N+](=O)[O-])OCC#CCSc1nc2c(o1)cccc2
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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 C18H12N2O5S MW 368.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O5S/c21-17(13-6-5-7-14(12-13)20(22)23)24-10-3-4-11-26-18-19-15-8-1-2-9-16(15)25-18/h1-2,5-9,12H,10-11H2InChIKey
OHUFWAVESAZFAP-UHFFFAOYSA-NSynonyms
669716-01-24(13BENZOXAZOL2YLSULFANYL)BUT2YN1YL3NITROBENZOATE
4(13BENZOXAZOL2YLSULFANYL)BUT2YNYL3NITROBENZOATE
4(benzo(d)oxazol2ylthio)but2yn1yl3nitrobenzoate
669716012
C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H12N2O5Sc2117(1365714(1213)20(22)23)2410341126181915812916(15)2518h125912H1011H2
MFCD03667699
O=C(c1cccc(c1)(N+)(=O)(O))OCC#CCSc1nc2c(o1)cccc2
ZINC000002195036
ZINC02195036
ZINC2195036
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