Vitas-M small molecule compound

N-{[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-nitrobenzamide

Catalog ID
STK053654
SMILES S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccccc1F

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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 C21H13FN4O4S MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FN4O4S/c22-16-4-2-1-3-15(16)20-24-17-11-13(7-10-18(17)30-20)23-21(31)25-19(27)12-5-8-14(9-6-12)26(28)29/h1-11H,(H2,23,25,27,31)
InChIKey
MNMTXPXPOILXEL-UHFFFAOYSA-N
Synonyms
335210-09-8
1(2(2FLUOROPHENYL)BENZOOXAZOL5YL)3(4NITROBENZOYL)THIOUREA
335210098
C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))F
InChI=1SC21H13FN4O4Sc2216421315(16)2024171113(71018(17)3020)2321(31)2519(27)125814(9612)26(28)29h111H(H223252731)
MFCD02577602
N(((2(2FLUOROPHENYL)BENZOXAZOL5YL)AMINO)THIOXOMETHYL)(4NITROPHENYL)CARBOXAMIDE
N((2(2FLUOROPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)4NITROBENZAMIDE
N((2(2fluorophenyl)benzo(d)oxazol5yl)carbamothioyl)4nitrobenzamide
S=C(NC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccccc1F
STK053654
ZINC000000878049
ZINC00878049
ZINC878049

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.