Vitas-M small molecule compound
3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(3-nitrobenzyl)propan-1-amine
Catalog ID
STK261369
SMILES [O-][N+](=O)c1cccc(c1)CNCCCSc1nnnn1C
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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 C12H16N6O2S MW 308.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N6O2S/c1-17-12(14-15-16-17)21-7-3-6-13-9-10-4-2-5-11(8-10)18(19)20/h2,4-5,8,13H,3,6-7,9H2,1H3InChIKey
ZTMGOQJZAVHGTJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)CNCCCSc1nnnn1C
3((1METHYL1HTETRAZOL5YL)SULFANYL)N(3NITROBENZYL)PROPAN1AMINE
3(1METHYLTETRAZOL5YL)SULFANYLN((3NITROPHENYL)METHYL)PROPAN1AMINE
CN1C(=NN=N1)SCCCNCC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC12H16N6O2Sc11712(14151617)217361391042511(810)18(19)20h245813H3679H21H3
MFCD07412558
ZINC000007540474
ZINC7540474
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