Vitas-M small molecule compound

N-[(4-ethoxyphenyl)(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide

Catalog ID
STL064198
SMILES OCCCCN(c1ccc(cc1)OCC)C(=S)NC(=O)c1cccc(c1)[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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-2-28-18-10-8-16(9-11-18)22(12-3-4-13-24)20(29)21-19(25)15-6-5-7-17(14-15)23(26)27/h5-11,14,24H,2-4,12-13H2,1H3,(H,21,25,29)
InChIKey
IWJHUYBSGMISEQ-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC20H23N3O5Sc12281810816(91118)22(12341324)20(29)2119(25)1565717(1415)23(26)27h5111424H241213H21H3(H212529)
MFCD05023200
N((4ethoxyphenyl)(4hydroxybutyl)carbamothioyl)3nitrobenzamide
OCCCCN(c1ccc(cc1)OCC)C(=S)NC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000012290035
ZINC12290035

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Available files

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