Vitas-M small molecule compound
N-{2-hydroxy-1-[4-methyl-5-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
Catalog ID
STK274053
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1cccc(c1)[N+](=O)[O-])CO
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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 C21H22N6O6S MW 486.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O6S/c1-26-19(17(11-28)23-20(30)13-6-8-16(33-2)9-7-13)24-25-21(26)34-12-18(29)22-14-4-3-5-15(10-14)27(31)32/h3-10,17,28H,11-12H2,1-2H3,(H,22,29)(H,23,30)InChIKey
NVUOXBKLOCUKQL-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C(CO)NC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1cccc(c1)(N+)(=O)(O))CO
InChI=1SC21H22N6O6Sc12619(17(1128)2320(30)136816(332)9713)242521(26)341218(29)221443515(1014)27(31)32h3101728H1112H212H3(H2229)(H2330)
MFCD09268359
N(2HYDROXY1(4METHYL5((2((3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(2HYDROXY1(4METHYL5((3NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(2hydroxy1(4methyl5(2(3nitroanilino)2oxoethyl)sulfanyl124triazol3yl)ethyl)4methoxybenzamide
ZINC000009615166
ZINC000009615168
Check stock
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Check stock on Vitas-MAvailable files
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