Vitas-M small molecule compound
4-(1,3-benzoxazol-2-ylsulfanyl)but-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK177384
SMILES O=C(c1ccc(cc1)[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(13-7-9-14(10-8-13)20(22)23)24-11-3-4-12-26-18-19-15-5-1-2-6-16(15)25-18/h1-2,5-10H,11-12H2InChIKey
ZFRZNOBNNTUPJQ-UHFFFAOYSA-NSynonyms
4(13BENZOXAZOL2YLSULFANYL)BUT2YN1YL4NITROBENZOATE
4(13BENZOXAZOL2YLSULFANYL)BUT2YNYL4NITROBENZOATE
C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H12N2O5Sc2117(137914(10813)20(22)23)2411341226181915512616(15)2518h12510H1112H2
MFCD03060637
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1nc2c(o1)cccc2
ZINC000002459051
ZINC02459051
ZINC2459051
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