Vitas-M small molecule compound
3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzoic acid
Catalog ID
STK676847
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnnn1c1ccccc1)C(=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 C14H9N5O4S MW 343.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N5O4S/c20-13(21)9-6-7-12(11(8-9)19(22)23)24-14-15-16-17-18(14)10-4-2-1-3-5-10/h1-8H,(H,20,21)InChIKey
NBOVYESWDPHPIV-UHFFFAOYSA-NSynonyms
346640-17-3(O)(N+)(=O)c1cc(ccc1Sc1nnnn1c1ccccc1)C(=O)O
346640173
3NITRO4((1PHENYL1HTETRAZOL5YL)SULFANYL)BENZOICACID
3NITRO4((1PHENYL1HTETRAZOL5YL)THIO)BENZOICACID
3NITRO4(1PHENYLTETRAZOL5YL)SULFANYLBENZOICACID
C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)O)(N+)(=O)(O)
InChI=1SC14H9N5O4Sc2013(21)96712(11(89)19(22)23)241415161718(14)104213510h18H(H2021)
MFCD01899749
ZINC000002484093
ZINC2484093
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