Vitas-M small molecule compound
3-methyl-N-({3-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-4-nitrobenzamide
Catalog ID
STK088120
SMILES S=C(NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])Nc1cccc(c1)NC(=O)C(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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c1-11(2)17(24)20-14-5-4-6-15(10-14)21-19(28)22-18(25)13-7-8-16(23(26)27)12(3)9-13/h4-11H,1-3H3,(H,20,24)(H2,21,22,25,28)InChIKey
SHKGAZGIPBDAHQ-UHFFFAOYSA-NSynonyms
3METHYLN((3((2METHYLPROPANOYL)AMINO)PHENYL)CARBAMOTHIOYL)4NITROBENZAMIDE
3METHYLN((3(2METHYLPROPANOYLAMINO)PHENYL)CARBAMOTHIOYL)4NITROBENZAMIDE
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C)(N+)(=O)(O)
InChI=1SC19H20N4O4Sc111(2)17(24)201454615(1014)2119(28)2218(25)137816(23(26)27)12(3)913h411H13H3(H2024)(H221222528)
MFCD03255227
S=C(NC(=O)c1ccc(c(c1)C)(N+)(=O)(O))Nc1cccc(c1)NC(=O)C(C)C
STK088120
ZINC000005659680
ZINC05659680
ZINC5659680
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