Vitas-M small molecule compound
N-(1-benzyl-1H-pyrazol-3-yl)-5-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STK311992
SMILES [O-][N+](=O)c1cnn(c1)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 C17H16N8O2S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N8O2S/c1-12(24-11-14(9-18-24)25(26)27)16-20-21-17(28-16)19-15-7-8-23(22-15)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,19,21,22)InChIKey
HGSPSNGQJFYVLT-UHFFFAOYSA-NSynonyms
1005667-81-1(O)(N+)(=O)c1cnn(c1)C(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1)C
1005667811
CC(C1=NN=C(S1)NC2=NN(C=C2)CC3=CC=CC=C3)N4C=C(C=N4)(N+)(=O)(O)
InChI=1SC17H16N8O2Sc112(241114(91824)25(26)27)16202117(2816)19157823(2215)10135324613h291112H10H21H3(H192122)
MFCD04140553
N(1benzyl1Hpyrazol3yl)5(1(4nitro1Hpyrazol1yl)ethyl)134thiadiazol2amine
N(1benzylpyrazol3yl)5(1(4nitropyrazol1yl)ethyl)134thiadiazol2amine
ZINC000002731366
ZINC000002731367
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