Vitas-M small molecule compound
N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STL405022
SMILES Cc1ccc(cc1)Cn1ncc(c1)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[N+](=O)[O-]
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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 C23H18N8O3 MW 454.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N8O3/c1-15-5-7-16(8-6-15)12-29-13-18(11-25-29)27-22(32)21-10-20(28-23-24-14-26-30(21)23)17-3-2-4-19(9-17)31(33)34/h2-11,13-14H,12H2,1H3,(H,27,32)InChIKey
HSSCDRXYDKELCM-UHFFFAOYSA-NSynonyms
1174851-08-11174851081
CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)C3=CC(=NC4=NC=NN34)C5=CC(=CC=C5)(N+)(=O)(O)
Cc1ccc(cc1)Cn1ncc(c1)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18N8O3c1155716(8615)12291318(112529)2722(32)211020(282324142630(21)23)1732419(917)31(33)34h2111314H12H21H3(H2732)
MFCD10701839
N(1((4methylphenyl)methyl)pyrazol4yl)5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carboxamide
N(1(4methylbenzyl)1Hpyrazol4yl)5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carboxamide
ZINC000036619384
ZINC36619384
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