Vitas-M small molecule compound
N-(1-benzyl-1H-pyrazol-3-yl)-5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STK311924
SMILES [O-][N+](=O)c1nn(c(c1)C)C(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1)C
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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 C18H18N8O2S MW 410.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N8O2S/c1-12-10-16(26(27)28)23-25(12)13(2)17-20-21-18(29-17)19-15-8-9-24(22-15)11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,21,22)InChIKey
UCPXSHSWAXKIGZ-UHFFFAOYSA-NSynonyms
1005610-73-0(O)(N+)(=O)c1nn(c(c1)C)C(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1)C
1005610730
CC1=CC(=NN1C(C)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC18H18N8O2Sc1121016(26(27)28)2325(12)13(2)17202118(2917)19158924(2215)11146435714h31013H11H212H3(H192122)
MFCD04140378
N(1benzyl1Hpyrazol3yl)5(1(5methyl3nitro1Hpyrazol1yl)ethyl)134thiadiazol2amine
N(1benzylpyrazol3yl)5(1(5methyl3nitropyrazol1yl)ethyl)134thiadiazol2amine
ZINC000002731183
ZINC000002731184
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