Vitas-M small molecule compound
ethyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Catalog ID
STK767027
SMILES CCOC(=O)c1sc2c(c1n1cccc1)c(SCC(C)C)cc(c2)[N+](=O)[O-]
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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 C19H20N2O4S2 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3InChIKey
YWAFPJAHTUOQMN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)(N+)(=O)(O))N3C=CC=C3
CCOC(=O)c1sc2c(c1n1cccc1)c(SCC(C)C)cc(c2)(N+)(=O)(O)
ethyl4((2methylpropyl)sulfanyl)6nitro3(1Hpyrrol1yl)1benzothiophene2carboxylate
ETHYL4(2METHYLPROPYLSULFANYL)6NITRO3PYRROL1YL1BENZOTHIOPHENE2CARBOXYLATE
ETHYL4(2METHYLPROPYLTHIO)6NITRO3PYRROLYLBENZO(B)THIOPHENE2CARBOXYLATE
InChI=1SC19H20N2O4S2c142519(22)1817(20756820)1614(261112(2)3)913(21(23)24)1015(16)2718h51012H411H213H3
MFCD03036547
ZINC000001089555
ZINC01089555
ZINC1089555
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