Vitas-M small molecule compound
2-acetyl-1-benzothiophen-3-yl 2-nitrobenzoate
Catalog ID
STK869723
SMILES CC(=O)c1sc2c(c1OC(=O)c1ccccc1[N+](=O)[O-])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 C17H11NO5S MW 341.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11NO5S/c1-10(19)16-15(12-7-3-5-9-14(12)24-16)23-17(20)11-6-2-4-8-13(11)18(21)22/h2-9H,1H3InChIKey
KGGOFMCOHRYMOU-UHFFFAOYSA-NSynonyms
327086-39-5(2ACETYL1BENZOTHIOPHEN3YL)2NITROBENZOATE
2ACETYL1BENZOTHIEN3YL2NITROBENZOATE
2acetyl1benzothiophen3yl2nitrobenzoate
2ACETYLBENZO(B)THIOPHEN3YL2NITROBENZOATE
327086395
CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CC=C3(N+)(=O)(O)
CC(=O)c1sc2c(c1OC(=O)c1ccccc1(N+)(=O)(O))cccc2
InChI=1SC17H11NO5Sc110(19)1615(12735914(12)2416)2317(20)11624813(11)18(21)22h29H1H3
MFCD01238933
ZINC000000349777
ZINC00349777
ZINC349777
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