Vitas-M small molecule compound
ethyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK010725
SMILES CCOC(=O)c1c(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc2c1CCCC2
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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 C17H17N3O6S MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S/c1-2-26-17(21)15-11-5-3-4-6-14(11)27-16(15)18-12-8-7-10(19(22)23)9-13(12)20(24)25/h7-9,18H,2-6H2,1H3InChIKey
XLZASFAAFCBXPJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(Nc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc2c1CCCC2
ethyl2((24dinitrophenyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(24dinitroanilino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H17N3O6Sc122617(21)1511534614(11)2716(15)18128710(19(22)23)913(12)20(24)25h7918H26H21H3
MFCD01120057
STK010725
ZINC000004286164
ZINC04286164
ZINC4286164
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