Vitas-M small molecule compound
3-ethyl-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STK531686
SMILES CCc1nnc2n1N=C(CS2)c1cccc(c1)[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 C12H11N5O2S MW 289.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O2S/c1-2-11-13-14-12-16(11)15-10(7-20-12)8-4-3-5-9(6-8)17(18)19/h3-6H,2,7H2,1H3InChIKey
CJAFELBTDCZKJX-UHFFFAOYSA-NSynonyms
3ethyl6(3nitrophenyl)7H(124)triazolo(34b)(134)thiadiazine
3ethyl6(3nitrophenyl)7H(124)triazolo(34b)(134)thiadiazinehydrobromide
CCC1=NN=C2N1N=C(CS2)C3=CC(=CC=C3)(N+)(=O)(O)
CCc1nnc2n1N=C(CS2)c1cccc(c1)(N+)(=O)(O)
CCc1nnc2n1N=C(CS2)c1cccc(c1)(N+)(=O)(O)Br
InChI=1SC12H11N5O2Sc121113141216(11)1510(72012)84359(68)17(18)19h36H27H21H3
MFCD01945407
ZINC000000501836
ZINC00501836
ZINC501836
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