Vitas-M small molecule compound
2-[(5-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK434975
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])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 C26H29N7O4S MW 535.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N7O4S/c1-5-31-25(20-9-7-19(8-10-20)15-32-18(4)24(33(35)36)17(3)30-32)28-29-26(31)38-16-23(34)27-21-11-13-22(14-12-21)37-6-2/h7-14H,5-6,15-16H2,1-4H3,(H,27,34)InChIKey
XWQFVFMBMCJPTL-UHFFFAOYSA-NSynonyms
2((5(4((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)4ethyl4H124triazol3yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((5(4((35DIMETHYL4NITROPYRAZOL1YL)METHYL)PHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4ETHOXYPHENYL)ACETAMIDE
2(5(4((35DIMETHYL4NITROPYRAZOLYL)METHYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))N(4ETHOXYPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)(N+)(=O)(O))C
CCOc1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC26H29N7O4Sc153125(209719(81020)153218(4)24(33(35)36)17(3)3032)282926(31)381623(34)2721111322(141221)3762h714H561516H214H3(H2734)
MFCD03943117
ZINC000097945729
ZINC97945729
Check stock
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Check stock on Vitas-MAvailable files
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