Vitas-M small molecule compound
4-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Catalog ID
STL071329
SMILES Nc1nc(CSc2nnnn2c2ccc(cc2)C(=O)O)nc(n1)N(C)C
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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 C14H15N9O2S MW 373.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N9O2S/c1-22(2)13-17-10(16-12(15)18-13)7-26-14-19-20-21-23(14)9-5-3-8(4-6-9)11(24)25/h3-6H,7H2,1-2H3,(H,24,25)(H2,15,16,17,18)InChIKey
FYDVYZAFKCVYIE-UHFFFAOYSA-NSynonyms
695209-66-64(5(((4amino6(dimethylamino)135triazin2yl)methyl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5(((4AMINO6(DIMETHYLAMINO)135TRIAZIN2YL)METHYL)THIO)1HTETRAZOL1YL)BENZOICACID
4(5((4AMINO6(DIMETHYLAMINO)135TRIAZIN2YL)METHYLSULFANYL)TETRAZOL1YL)BENZOICACID
695209666
CN(C)C1=NC(=NC(=N1)N)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O
InChI=1SC14H15N9O2Sc122(2)131710(1612(15)1813)7261419202123(14)9538(469)11(24)25h36H7H212H3(H2425)(H215161718)
MFCD03854506
ZINC000002235039
ZINC2235039
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