Vitas-M small molecule compound

N-[(2-chloro-5-nitrophenyl)carbamothioyl]-4-ethoxybenzamide

Catalog ID
STL377523
SMILES CCOc1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1Cl)[N+](=O)[O-]

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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 C16H14ClN3O4S MW 379.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3O4S/c1-2-24-12-6-3-10(4-7-12)15(21)19-16(25)18-14-9-11(20(22)23)5-8-13(14)17/h3-9H,2H2,1H3,(H2,18,19,21,25)
InChIKey
PYWXUCTXPKCRON-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl
CCOc1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC16H14ClN3O4Sc1224126310(4712)15(21)1916(25)1814911(20(22)23)5813(14)17h39H2H21H3(H218192125)
MFCD02630281
N((2chloro5nitrophenyl)carbamothioyl)4ethoxybenzamide
N(2CHLORO5NITROPHENYL)N(4ETHOXYBENZOYL)THIOUREA
ZINC000000680946
ZINC00680946
ZINC680946

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Available files

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