Vitas-M small molecule compound
3-[({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-nitrobenzoic acid
Catalog ID
STK328806
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-])CSc1nnc(n1C)c1ccncc1
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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 C17H14N6O5S MW 414.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N6O5S/c1-22-15(10-2-4-18-5-3-10)20-21-17(22)29-9-14(24)19-12-6-11(16(25)26)7-13(8-12)23(27)28/h2-8H,9H2,1H3,(H,19,24)(H,25,26)InChIKey
ZDIQXUZUNPQZAE-UHFFFAOYSA-NSynonyms
728035-03-83((((4methyl5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)5nitrobenzoicacid
3((2((4METHYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)5NITROBENZOICACID
728035038
CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)O)(N+)(=O)(O))C3=CC=NC=C3
InChI=1SC17H14N6O5Sc12215(1024185310)202117(22)29914(24)1912611(16(25)26)713(812)23(27)28h28H9H21H3(H1924)(H2526)
MFCD06017153
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1nnc(n1C)c1ccncc1
ZINC000014944643
ZINC14944643
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