Vitas-M small molecule compound
N-{2-hydroxy-1-[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STL123015
SMILES OCC(c1nnc(n1C)SCC(=O)Nc1cc(ccc1C)[N+](=O)[O-])NC(=O)c1ccccc1
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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 C21H22N6O5S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O5S/c1-13-8-9-15(27(31)32)10-16(13)22-18(29)12-33-21-25-24-19(26(21)2)17(11-28)23-20(30)14-6-4-3-5-7-14/h3-10,17,28H,11-12H2,1-2H3,(H,22,29)(H,23,30)InChIKey
YWEQJOPPRLYNKM-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)C(CO)NC(=O)C3=CC=CC=C3
InChI=1SC21H22N6O5Sc1138915(27(31)32)1016(13)2218(29)123321252419(26(21)2)17(1128)2320(30)146435714h3101728H1112H212H3(H2229)(H2330)
MFCD06623066
N((1R)2HYDROXY1(4METHYL5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N((1S)2HYDROXY1(4METHYL5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(2hydroxy1(4methyl5((2((2methyl5nitrophenyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)ethyl)benzamide
N(2HYDROXY1(4METHYL5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
OCC(c1nnc(n1C)SCC(=O)Nc1cc(ccc1C)(N+)(=O)(O))NC(=O)c1ccccc1
ZINC000002869257
ZINC000002869258
Check stock
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Check stock on Vitas-MAvailable files
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