Vitas-M small molecule compound
N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-3-yl]-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STK311688
SMILES Clc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1nc(c(c1C)[N+](=O)[O-])C)Cl
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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 C18H16Cl2N8O2S MW 479.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl2N8O2S/c1-10-17(28(29)30)11(2)27(24-10)9-16-22-23-18(31-16)21-15-6-7-26(25-15)8-12-13(19)4-3-5-14(12)20/h3-7H,8-9H2,1-2H3,(H,21,23,25)InChIKey
AGPWOVKEJQXEGH-UHFFFAOYSA-NSynonyms
1005572-41-71005572417
CC1=C(C(=NN1CC2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)Cl)C)(N+)(=O)(O)
Clc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1nc(c(c1C)(N+)(=O)(O))C)Cl
InChI=1SC18H16Cl2N8O2Sc11017(28(29)30)11(2)27(2410)916222318(3116)21156726(2515)81213(19)43514(12)20h37H89H212H3(H212325)
MFCD04139789
N(1((26dichlorophenyl)methyl)pyrazol3yl)5((35dimethyl4nitropyrazol1yl)methyl)134thiadiazol2amine
N(1(26dichlorobenzyl)1Hpyrazol3yl)5((35dimethyl4nitro1Hpyrazol1yl)methyl)134thiadiazol2amine
ZINC000002730122
ZINC02730122
ZINC2730122
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