Vitas-M small molecule compound
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-4-nitrobenzenesulfonamide
Catalog ID
STL403147
SMILES CCn1cc(c(n1)C)CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)F
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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 C20H21FN4O4S MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN4O4S/c1-3-23-13-17(15(2)22-23)14-24(12-16-4-6-18(21)7-5-16)30(28,29)20-10-8-19(9-11-20)25(26)27/h4-11,13H,3,12,14H2,1-2H3InChIKey
XJOXUTIVXQCRKA-UHFFFAOYSA-NSynonyms
1174858-42-41174858424
CCN1C=C(C(=N1)C)CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCn1cc(c(n1)C)CN(S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))Cc1ccc(cc1)F
InChI=1SC20H21FN4O4Sc13231317(15(2)2223)1424(12164618(21)7516)30(2829)2010819(91120)25(26)27h41113H31214H212H3
MFCD09469435
N((1ethyl3methyl1Hpyrazol4yl)methyl)N(4fluorobenzyl)4nitrobenzenesulfonamide
N((1ethyl3methylpyrazol4yl)methyl)N((4fluorophenyl)methyl)4nitrobenzenesulfonamide
ZINC000020602140
ZINC20602140
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