Vitas-M small molecule compound
N-[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL398036
SMILES CC(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1Cl)Cn1nc(c(c1C)[N+](=O)[O-])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 C20H21ClN8O2S MW 472.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN8O2S/c1-12(10-28-14(3)18(29(30)31)13(2)25-28)19-23-24-20(32-19)22-17-8-9-27(26-17)11-15-6-4-5-7-16(15)21/h4-9,12H,10-11H2,1-3H3,(H,22,24,26)InChIKey
GPTOORLYOWKIMC-UHFFFAOYSA-NSynonyms
1005641-89-31005641893
CC(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1Cl)Cn1nc(c(c1C)(N+)(=O)(O))C
CC1=C(C(=NN1CC(C)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4Cl)C)(N+)(=O)(O)
InChI=1SC20H21ClN8O2Sc112(102814(3)18(29(30)31)13(2)2528)19232420(3219)22178927(2617)1115645716(15)21h4912H1011H213H3(H222426)
MFCD04141257
N(1((2chlorophenyl)methyl)pyrazol3yl)5(1(35dimethyl4nitropyrazol1yl)propan2yl)134thiadiazol2amine
N(1(2CHLOROBENZYL)1HPYRAZOL3YL)5(1(35DIMETHYL4NITRO1HPYRAZOL1YL)PROPAN2YL)134THIADIAZOL2AMINE
ZINC000002732676
ZINC000002732677
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