Vitas-M small molecule compound
6-[(4-nitrophenoxy)methyl]-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK242316
SMILES CCCc1nnc2n1nc(s2)COc1ccc(cc1)[N+](=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 C13H13N5O3S MW 319.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O3S/c1-2-3-11-14-15-13-17(11)16-12(22-13)8-21-10-6-4-9(5-7-10)18(19)20/h4-7H,2-3,8H2,1H3InChIKey
JJSSRQDXNGVKNB-UHFFFAOYSA-NSynonyms
6((4nitrophenoxy)methyl)3propyl(124)triazolo(34b)(134)thiadiazole
CCCC1=NN=C2N1N=C(S2)COC3=CC=C(C=C3)(N+)(=O)(O)
CCCc1nnc2n1nc(s2)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H13N5O3Sc1231114151317(11)1612(2213)82110649(5710)18(19)20h47H238H21H3
MFCD08684019
ZINC000008392322
ZINC08392322
ZINC8392322
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