Vitas-M small molecule compound
N-(1-benzyl-1H-pyrazol-3-yl)-5-{1-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}-1,3,4-thiadiazol-2-amine
Catalog ID
STK311826
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cn1ccc(n1)c1nnc(s1)Nc1ccn(n1)Cc1ccccc1
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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 C21H20N10O2S MW 476.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N10O2S/c1-14-19(31(32)33)15(2)30(25-14)13-29-10-8-17(26-29)20-23-24-21(34-20)22-18-9-11-28(27-18)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,24,27)InChIKey
XQMXMMLEJKCINN-UHFFFAOYSA-NSynonyms
1005691-25-7(O)(N+)(=O)c1c(C)nn(c1C)Cn1ccc(n1)c1nnc(s1)Nc1ccn(n1)Cc1ccccc1
1005691257
CC1=C(C(=NN1CN2C=CC(=N2)C3=NN=C(S3)NC4=NN(C=C4)CC5=CC=CC=C5)C)(N+)(=O)(O)
InChI=1SC21H20N10O2Sc11419(31(32)33)15(2)30(2514)132910817(2629)20232421(3420)221891128(2718)12166435716h311H1213H212H3(H222427)
MFCD04140135
N(1benzyl1Hpyrazol3yl)5(1((35dimethyl4nitro1Hpyrazol1yl)methyl)1Hpyrazol3yl)134thiadiazol2amine
N(1benzylpyrazol3yl)5(1((35dimethyl4nitropyrazol1yl)methyl)pyrazol3yl)134thiadiazol2amine
ZINC000002730924
ZINC02730924
ZINC2730924
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