Vitas-M small molecule compound
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3-benzothiazole
Catalog ID
STK409828
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1nc2c(s1)cccc2
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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 C13H12N4O2S MW 288.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O2S/c1-8-13(17(18)19)9(2)16(15-8)7-12-14-10-5-3-4-6-11(10)20-12/h3-6H,7H2,1-2H3InChIKey
JTPVKSMVKRNFND-UHFFFAOYSA-NSynonyms
878580-84-8(O)(N+)(=O)c1c(C)nn(c1C)Cc1nc2c(s1)cccc2
2((35dimethyl4nitro1Hpyrazol1yl)methyl)13benzothiazole
2((35DIMETHYL4NITROPYRAZOL1YL)METHYL)13BENZOTHIAZOLE
2((35DIMETHYL4NITROPYRAZOLYL)METHYL)BENZOTHIAZOLE
2(35DIMETHYL4NITROPYRAZOL1YLMETHYL)BENZOTHIAZOLE
878580848
CC1=C(C(=NN1CC2=NC3=CC=CC=C3S2)C)(N+)(=O)(O)
InChI=1SC13H12N4O2Sc1813(17(18)19)9(2)16(158)7121410534611(10)2012h36H7H212H3
MFCD07397653
ZINC000004943046
ZINC04943046
ZINC4943046
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