Vitas-M small molecule compound
methyl 6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Catalog ID
STK768034
SMILES COC(=O)c1sc2c(c1n1cccc1)c(Sc1ccccc1)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 C20H14N2O4S2 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O4S2/c1-26-20(23)19-18(21-9-5-6-10-21)17-15(27-14-7-3-2-4-8-14)11-13(22(24)25)12-16(17)28-19/h2-12H,1H3InChIKey
GURQTFFGFNBLRB-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)(N+)(=O)(O))N4C=CC=C4
COC(=O)c1sc2c(c1n1cccc1)c(Sc1ccccc1)cc(c2)(N+)(=O)(O)
InChI=1SC20H14N2O4S2c12620(23)1918(219561021)1715(27147324814)1113(22(24)25)1216(17)2819h212H1H3
methyl6nitro4(phenylsulfanyl)3(1Hpyrrol1yl)1benzothiophene2carboxylate
METHYL6NITRO4PHENYLSULFANYL3PYRROL1YL1BENZOTHIOPHENE2CARBOXYLATE
METHYL6NITRO4PHENYLTHIO3PYRROLYLBENZO(B)THIOPHENE2CARBOXYLATE
MFCD03133956
ZINC000001089628
ZINC01089628
ZINC1089628
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