Vitas-M small molecule compound
3-chloro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK424060
SMILES Cn1ncc(c1)CNC(=O)c1sc2c(c1Cl)ccc(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 C14H11ClN4O3S MW 350.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN4O3S/c1-18-7-8(6-17-18)5-16-14(20)13-12(15)10-3-2-9(19(21)22)4-11(10)23-13/h2-4,6-7H,5H2,1H3,(H,16,20)InChIKey
OIACDOOOUUNAEE-UHFFFAOYSA-NSynonyms
(3CHLORO6NITROBENZO(B)THIOPHEN2YL)N((1METHYLPYRAZOL4YL)METHYL)CARBOXAMIDE
3chloroN((1methyl1Hpyrazol4yl)methyl)6nitro1benzothiophene2carboxamide
3CHLORON((1METHYLPYRAZOL4YL)METHYL)6NITRO1BENZOTHIOPHENE2CARBOXAMIDE
CN1C=C(C=N1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
Cn1ncc(c1)CNC(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC14H11ClN4O3Sc11878(61718)51614(20)1312(15)10329(19(21)22)411(10)2313h2467H5H21H3(H1620)
MFCD02244849
ZINC000002769743
ZINC02769743
ZINC2769743
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