Vitas-M small molecule compound
N-(1-benzyl-1H-pyrazol-3-yl)-5-{3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,3,4-thiadiazol-2-amine
Catalog ID
STK313448
SMILES [O-][N+](=O)c1cnn(c1)Cc1cccc(c1)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 C22H18N8O2S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N8O2S/c31-30(32)19-12-23-29(15-19)14-17-7-4-8-18(11-17)21-25-26-22(33-21)24-20-9-10-28(27-20)13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,24,26,27)InChIKey
FUWICUIEQZQQOG-UHFFFAOYSA-NSynonyms
1005577-66-1(O)(N+)(=O)c1cnn(c1)Cc1cccc(c1)c1nnc(s1)Nc1ccn(n1)Cc1ccccc1
1005577661
C1=CC=C(C=C1)CN2C=CC(=N2)NC3=NN=C(S3)C4=CC(=CC=C4)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC22H18N8O2Sc3130(32)19122329(1519)141774818(1117)21252622(3321)242091028(2720)13165213616h11215H1314H2(H242627)
MFCD04140980
N(1benzyl1Hpyrazol3yl)5(3((4nitro1Hpyrazol1yl)methyl)phenyl)134thiadiazol2amine
N(1benzylpyrazol3yl)5(3((4nitropyrazol1yl)methyl)phenyl)134thiadiazol2amine
ZINC000002732355
ZINC02732355
ZINC2732355
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