Vitas-M small molecule compound
N-{[3-chloro-2-(pyrrolidin-1-yl)phenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Catalog ID
STK389707
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1N1CCCC1)Cl
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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 C19H19ClN4O4S MW 434.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN4O4S/c1-28-16-8-7-12(11-15(16)24(26)27)18(25)22-19(29)21-14-6-4-5-13(20)17(14)23-9-2-3-10-23/h4-8,11H,2-3,9-10H2,1H3,(H2,21,22,25,29)InChIKey
PBAQSAPXWYZOEW-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1N1CCCC1)Cl
InChI=1SC19H19ClN4O4Sc128168712(1115(16)24(26)27)18(25)2219(29)211464513(20)17(14)239231023h4811H23910H21H3(H221222529)
MFCD05831861
N((3chloro2(pyrrolidin1yl)phenyl)carbamothioyl)4methoxy3nitrobenzamide
N((3CHLORO2PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)4METHOXY3NITROBENZAMIDE
ZINC000002879455
ZINC02879455
ZINC2879455
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