Vitas-M small molecule compound
3-{[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]methyl}benzonitrile
Catalog ID
STL433166
SMILES NCCc1nnn(c1)Cc1cccc(c1)C#N
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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 C12H13N5 MW 227.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5/c13-5-4-12-9-17(16-15-12)8-11-3-1-2-10(6-11)7-14/h1-3,6,9H,4-5,8,13H2InChIKey
OKSOPBMLGFWJNH-UHFFFAOYSA-NSynonyms
3((4(2AMINOETHYL)123TRIAZOLYL)METHYL)BENZENECARBONITRILE
3((4(2aminoethyl)1H123triazol1yl)methyl)benzonitrile
3((4(2AMINOETHYL)1H123TRIAZOL1YL)METHYL)BENZONITRILEDIHYDROCHLORIDE
3((4(2aminoethyl)triazol1yl)methyl)benzonitrile
C1=CC(=CC(=C1)CN2C=C(N=N2)CCN)C#N
InChI=1SC12H13N5c135412917(161512)81131210(611)714h1369H45813H2
MFCD23703670
ZINC000036719737
ZINC36719737
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