Vitas-M small molecule compound
2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK118788
SMILES COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SCC(=O)Nc1ccc(cc1)[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/c1-3-27-19(13-23-20(29)12-15-4-10-18(33-2)11-5-15)25-26-22(27)34-14-21(30)24-16-6-8-17(9-7-16)28(31)32/h4-11H,3,12-14H2,1-2H3,(H,23,29)(H,24,30)InChIKey
VVYRLTQKQLYCKT-UHFFFAOYSA-NSynonyms
2((4ETHYL5((((4METHOXYPHENYL)ACETYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)CC3=CC=C(C=C3)OC
COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H24N6O5Sc132719(132320(29)121541018(332)11515)252622(27)341421(30)24166817(9716)28(31)32h411H31214H212H3(H2329)(H2430)
MFCD03995270
N((4ETHYL5(2(4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)2(4METHOXYPHENYL)ACETAMIDE
ZINC000009304935
ZINC09304935
ZINC9304935
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