Vitas-M small molecule compound
4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 3-nitrobenzoate
Catalog ID
STK828465
SMILES O=C(c1cccc(c1)[N+](=O)[O-])OCC#CCSc1nc2c(s1)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 C18H12N2O4S2 MW 384.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O4S2/c21-17(13-6-5-7-14(12-13)20(22)23)24-10-3-4-11-25-18-19-15-8-1-2-9-16(15)26-18/h1-2,5-9,12H,10-11H2InChIKey
CFZGGUNZAVRCQS-UHFFFAOYSA-NSynonyms
672340-73-74(13benzothiazol2ylsulfanyl)but2yn1yl3nitrobenzoate
4(13BENZOTHIAZOL2YLSULFANYL)BUT2YNYL3NITROBENZOATE
4(benzo(d)thiazol2ylthio)but2yn1yl3nitrobenzoate
672340737
C1=CC=C2C(=C1)N=C(S2)SCC#CCOC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H12N2O4S2c2117(1365714(1213)20(22)23)2410341125181915812916(15)2618h125912H1011H2
MFCD03994677
O=C(c1cccc(c1)(N+)(=O)(O))OCC#CCSc1nc2c(s1)cccc2
ZINC000002260345
ZINC02260345
ZINC2260345
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