Vitas-M small molecule compound
3-{[({5-[(E)-2-(4-fluorophenyl)ethenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-5-nitrobenzoic acid
Catalog ID
STK328758
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-])CSc1nnc([nH]1)/C=C/c1ccc(cc1)F
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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 C19H14FN5O5S MW 443.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14FN5O5S/c20-13-4-1-11(2-5-13)3-6-16-22-19(24-23-16)31-10-17(26)21-14-7-12(18(27)28)8-15(9-14)25(29)30/h1-9H,10H2,(H,21,26)(H,27,28)(H,22,23,24)/b6-3+InChIKey
HYYQBYZAPRLMGR-ZZXKWVIFSA-NSynonyms
727688-49-53((((5((E)2(4fluorophenyl)ethenyl)4H124triazol3yl)sulfanyl)acetyl)amino)5nitrobenzoicacid
3((2((5((E)2(4FLUOROPHENYL)ETHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)5NITROBENZOICACID
727688495
C1=CC(=CC=C1C=CC2=NC(=NN2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)(N+)(=O)(O))F
InChI=1SC19H14FN5O5Sc20134111(2513)36162219(242316)311017(26)2114712(18(27)28)815(914)25(29)30h19H10H2(H2126)(H2728)(H222324)b63+
MFCD06008196
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1nnc((nH)1)C=Cc1ccc(cc1)F
ZINC000016474593
ZINC16474593
Check stock
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Check stock on Vitas-MAvailable files
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