Vitas-M small molecule compound
3-phenylpropyl 5-{[(2-fluoro-5-nitrophenyl)carbamothioyl]amino}-5-oxopentanoate
Catalog ID
STL065275
SMILES O=C(OCCCc1ccccc1)CCCC(=O)NC(=S)Nc1cc(ccc1F)[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 C21H22FN3O5S MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O5S/c22-17-12-11-16(25(28)29)14-18(17)23-21(31)24-19(26)9-4-10-20(27)30-13-5-8-15-6-2-1-3-7-15/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H2,23,24,26,31)InChIKey
OSZLZYWMKCAHKQ-UHFFFAOYSA-NSynonyms
3phenylpropyl5(((2fluoro5nitrophenyl)carbamothioyl)amino)5oxopentanoate
3PHENYLPROPYL5((2FLUORO5NITROPHENYL)CARBAMOTHIOYLAMINO)5OXOPENTANOATE
C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))F
InChI=1SC21H22FN3O5Sc2217121116(25(28)29)1418(17)2321(31)2419(26)941020(27)301358156213715h1367111214H4581013H2(H223242631)
MFCD07083643
O=C(OCCCc1ccccc1)CCCC(=O)NC(=S)Nc1cc(ccc1F)(N+)(=O)(O)
ZINC000012137372
ZINC12137372
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