Vitas-M small molecule compound
3-chloro-N-methyl-6-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
Catalog ID
STK424054
SMILES CN(C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Cc1c(C)nn(c1C)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/c1-9-13(10(2)21(4)19-9)8-20(3)17(23)16-15(18)12-6-5-11(22(24)25)7-14(12)26-16/h5-7H,8H2,1-4H3InChIKey
AGSMSLRMBRTNIM-UHFFFAOYSA-NSynonyms
(3CHLORO6NITROBENZO(B)THIOPHEN2YL)NMETHYLN((135TRIMETHYLPYRAZOL4YL)METHYL)CARBOXAMIDE
3chloroNmethyl6nitroN((135trimethyl1Hpyrazol4yl)methyl)1benzothiophene2carboxamide
3CHLORONMETHYL6NITRON((135TRIMETHYLPYRAZOL4YL)METHYL)1BENZOTHIOPHENE2CARBOXAMIDE
CC1=C(C(=NN1C)C)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
CN(C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))Cc1c(C)nn(c1C)C
InChI=1SC17H17ClN4O3Sc1913(10(2)21(4)199)820(3)17(23)1615(18)126511(22(24)25)714(12)2616h57H8H214H3
MFCD02244894
ZINC000002769642
ZINC02769642
ZINC2769642
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