Vitas-M small molecule compound
4-nitrobenzyl thiophene-2-carboxylate
Catalog ID
STK326841
SMILES [O-][N+](=O)c1ccc(cc1)COC(=O)c1cccs1
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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 C12H9NO4S MW 263.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9NO4S/c14-12(11-2-1-7-18-11)17-8-9-3-5-10(6-4-9)13(15)16/h1-7H,8H2InChIKey
NTHXXSCFTIRESZ-UHFFFAOYSA-NSynonyms
433311-28-5(4NITROPHENYL)METHYLTHIOPHENE2CARBOXYLATE
(O)(N+)(=O)c1ccc(cc1)COC(=O)c1cccs1
433311285
4nitrobenzylthiophene2carboxylate
C1=CSC(=C1)C(=O)OCC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H9NO4Sc1412(112171811)17893510(649)13(15)16h17H8H2
MFCD03145980
ZINC000000587101
ZINC00587101
ZINC587101
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