Vitas-M small molecule compound
4-methoxy-N-{2-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK186782
SMILES COc1ccc(cc1)C(=O)NCCc1nnc(n1C)SCC(=O)Nc1ccc(cc1C)[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 C22H24N6O5S MW 484.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O5S/c1-14-12-16(28(31)32)6-9-18(14)24-20(29)13-34-22-26-25-19(27(22)2)10-11-23-21(30)15-4-7-17(33-3)8-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,30)(H,24,29)InChIKey
QNHFMXDINDRKMG-UHFFFAOYSA-NSynonyms
4METHOXYN(2(4METHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(2(4METHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NCCc1nnc(n1C)SCC(=O)Nc1ccc(cc1C)(N+)(=O)(O)
InChI=1SC22H24N6O5Sc1141216(28(31)32)6918(14)2420(29)133422262519(27(22)2)10112321(30)154717(333)8515h4912H101113H213H3(H2330)(H2429)
MFCD05998964
ZINC000009262291
ZINC09262291
ZINC9262291
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