Vitas-M small molecule compound
N-{[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl}-4-nitrobenzamide
Catalog ID
STK126342
SMILES S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
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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 C20H22N4O5S2 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S2/c25-19(15-5-9-17(10-6-15)24(26)27)22-20(30)21-16-7-11-18(12-8-16)31(28,29)23-13-3-1-2-4-14-23/h5-12H,1-4,13-14H2,(H2,21,22,25,30)InChIKey
QETLMZDODYSJQB-UHFFFAOYSA-NSynonyms
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H22N4O5S2c2519(155917(10615)24(26)27)2220(30)211671118(12816)31(2829)231331241423h512H141314H2(H221222530)
MFCD03586815
N((4(AZEPAN1YLSULFONYL)PHENYL)CARBAMOTHIOYL)4NITROBENZAMIDE
S=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
ZINC000002842082
ZINC02842082
ZINC2842082
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