Vitas-M small molecule compound
3-nitro-5-[({[5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK328783
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-])CSc1nnc(s1)c1cccnc1
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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 C16H11N5O5S2 MW 417.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N5O5S2/c22-13(18-11-4-10(15(23)24)5-12(6-11)21(25)26)8-27-16-20-19-14(28-16)9-2-1-3-17-7-9/h1-7H,8H2,(H,18,22)(H,23,24)InChIKey
YTCRVDQQQOOAKN-UHFFFAOYSA-NSynonyms
728015-07-43nitro5((((5(pyridin3yl)134thiadiazol2yl)sulfanyl)acetyl)amino)benzoicacid
3NITRO5((2((5PYRIDIN3YL134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
728015074
C1=CC(=CN=C1)C2=NN=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)(N+)(=O)(O)
InChI=1SC16H11N5O5S2c2213(1811410(15(23)24)512(611)21(25)26)82716201914(2816)92131779h17H8H2(H1822)(H2324)
MFCD06015961
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1nnc(s1)c1cccnc1
ZINC000014944531
ZINC14944531
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