Vitas-M small molecule compound

1-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]-3-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]thiourea

Catalog ID
STL392603
SMILES S=C(Nc1cnn(c1)Cc1ccccc1F)NCCn1ncc(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 C16H16FN7O2S MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16FN7O2S/c17-15-4-2-1-3-12(15)9-23-10-13(7-19-23)21-16(27)18-5-6-22-11-14(8-20-22)24(25)26/h1-4,7-8,10-11H,5-6,9H2,(H2,18,21,27)
InChIKey
CBSREEJEBRYRAI-UHFFFAOYSA-N
Synonyms
1005636-18-9
1(1((2FLUOROPHENYL)METHYL)PYRAZOL4YL)3(2(4NITROPYRAZOL1YL)ETHYL)THIOUREA
1(1(2fluorobenzyl)1Hpyrazol4yl)3(2(4nitro1Hpyrazol1yl)ethyl)thiourea
1005636189
C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=S)NCCN3C=C(C=N3)(N+)(=O)(O))F
InChI=1SC16H16FN7O2Sc1715421312(15)9231013(71923)2116(27)1856221114(82022)24(25)26h14781011H569H2(H2182127)
MFCD04052993
S=C(Nc1cnn(c1)Cc1ccccc1F)NCCn1ncc(c1)(N+)(=O)(O)
ZINC000002802760
ZINC02802760
ZINC2802760

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Available files

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