Vitas-M small molecule compound
3-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK424058
SMILES CCn1nc(c(c1)CN(C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])C)C
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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 C17H17ClN4O3S MW 392.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O3S/c1-4-21-9-11(10(2)19-21)8-20(3)17(23)16-15(18)13-6-5-12(22(24)25)7-14(13)26-16/h5-7,9H,4,8H2,1-3H3InChIKey
KZIILTFGADBCDM-UHFFFAOYSA-NSynonyms
(3CHLORO6NITROBENZO(B)THIOPHEN2YL)N((1ETHYL3METHYLPYRAZOL4YL)METHYL)NMETHYLCARBOXAMIDE
3CHLORON((1ETHYL3METHYL1HPYRAZOL4YL)METHYL)6NITRONMETHYL1BENZOTHIOPHENE2CARBOXAMIDE
3chloroN((1ethyl3methyl1Hpyrazol4yl)methyl)Nmethyl6nitro1benzothiophene2carboxamide
3CHLORON((1ETHYL3METHYLPYRAZOL4YL)METHYL)NMETHYL6NITRO1BENZOTHIOPHENE2CARBOXAMIDE
CCN1C=C(C(=N1)C)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
CCn1nc(c(c1)CN(C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))C)C
InChI=1SC17H17ClN4O3Sc1421911(10(2)1921)820(3)17(23)1615(18)136512(22(24)25)714(13)2616h579H48H213H3
MFCD02244857
ZINC000001005619
ZINC01005619
ZINC1005619
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