Vitas-M small molecule compound
4-methoxy-N-{1-[4-methyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK218486
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])C)C
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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/c1-13-5-8-16(11-18(13)28(31)32)24-19(29)12-34-22-26-25-20(27(22)3)14(2)23-21(30)15-6-9-17(33-4)10-7-15/h5-11,14H,12H2,1-4H3,(H,23,30)(H,24,29)InChIKey
HFCSLAKISSAMQR-UHFFFAOYSA-NSynonyms
4METHOXYN(1(4METHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(1(4METHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccc(c(c1)(N+)(=O)(O))C)C
InChI=1SC22H24N6O5Sc1135816(1118(13)28(31)32)2419(29)123422262520(27(22)3)14(2)2321(30)156917(334)10715h51114H12H214H3(H2330)(H2429)
MFCD07357879
ZINC000009262124
ZINC000009262127
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