Vitas-M small molecule compound
N-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Catalog ID
STK315151
SMILES O=C(c1noc(c1Cn1nc(c(c1C)[N+](=O)[O-])C)C)Nc1ncn(n1)Cc1ccc(c(c1)Cl)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 C20H18Cl2N8O4 MW 505.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N8O4/c1-10-18(30(32)33)11(2)29(25-10)8-14-12(3)34-27-17(14)19(31)24-20-23-9-28(26-20)7-13-4-5-15(21)16(22)6-13/h4-6,9H,7-8H2,1-3H3,(H,24,26,31)InChIKey
DRGIDTOYSQCXNK-UHFFFAOYSA-NSynonyms
1006997-05-21006997052
CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=NN(C=N3)CC4=CC(=C(C=C4)Cl)Cl)C)C)(N+)(=O)(O)
InChI=1SC20H18Cl2N8O4c11018(30(32)33)11(2)29(2510)81412(3)342717(14)19(31)242023928(2620)7134515(21)16(22)613h469H78H213H3(H242631)
MFCD08554445
N(1((34dichlorophenyl)methyl)124triazol3yl)4((35dimethyl4nitropyrazol1yl)methyl)5methyl12oxazole3carboxamide
N(1(34dichlorobenzyl)1H124triazol3yl)4((35dimethyl4nitro1Hpyrazol1yl)methyl)5methyl12oxazole3carboxamide
O=C(c1noc(c1Cn1nc(c(c1C)(N+)(=O)(O))C)C)Nc1ncn(n1)Cc1ccc(c(c1)Cl)Cl
ZINC000013961424
ZINC13961424
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