Vitas-M small molecule compound
({5-[(5-amino-1H-tetrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
Catalog ID
STK667480
SMILES N#CCSc1nnc(n1c1ccccc1)Cn1nnnc1N
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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 C12H11N9S MW 313.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N9S/c13-6-7-22-12-17-15-10(8-20-11(14)16-18-19-20)21(12)9-4-2-1-3-5-9/h1-5H,7-8H2,(H2,14,16,19)InChIKey
GQNQAINJBCQRNO-UHFFFAOYSA-NSynonyms
((5((5amino1Htetrazol1yl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetonitrile
2((5((5aminotetrazol1yl)methyl)4phenyl124triazol3yl)sulfanyl)acetonitrile
C1=CC=C(C=C1)N2C(=NN=C2SCC#N)CN3C(=NN=N3)N
InChI=1SC12H11N9Sc13672212171510(82011(14)16181920)21(12)9421359h15H78H2(H2141619)
MFCD09063275
ZINC000010336467
ZINC10336467
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