Vitas-M small molecule compound

4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide

Catalog ID
STL398482
SMILES S=C(Nc1ccc(cc1Cl)[N+](=O)[O-])NC(=O)c1ccc(cc1)Cn1ncc(c1)Br

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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 C18H13BrClN5O3S MW 494.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrClN5O3S/c19-13-8-21-24(10-13)9-11-1-3-12(4-2-11)17(26)23-18(29)22-16-6-5-14(25(27)28)7-15(16)20/h1-8,10H,9H2,(H2,22,23,26,29)
InChIKey
CGBMKGYLLPJXQN-UHFFFAOYSA-N
Synonyms
494745-66-3
4((4BROMO1HPYRAZOL1YL)METHYL)N((2CHLORO4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
4((4BROMOPYRAZOL1YL)METHYL)N((2CHLORO4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
494745663
C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC18H13BrClN5O3Sc191382124(1013)9111312(4211)17(26)2318(29)22166514(25(27)28)715(16)20h1810H9H2(H222232629)
MFCD03073997
N(4((4BROMO1HPYRAZOL1YL)METHYL)BENZOYL)N(2CHLORO4NITROPHENYL)THIOUREA
S=C(Nc1ccc(cc1Cl)(N+)(=O)(O))NC(=O)c1ccc(cc1)Cn1ncc(c1)Br
ZINC000017143401
ZINC17143401

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Available files

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