Vitas-M small molecule compound
2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Catalog ID
STK435059
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1CCn1ncc(c1)[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 C17H18N8O5S MW 446.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N8O5S/c1-2-23-15(6-7-22-10-14(9-18-22)25(29)30)20-21-17(23)31-11-16(26)19-12-4-3-5-13(8-12)24(27)28/h3-5,8-10H,2,6-7,11H2,1H3,(H,19,26)InChIKey
KOPWYPNMBADGKE-UHFFFAOYSA-NSynonyms
2((4ethyl5(2(4nitro1Hpyrazol1yl)ethyl)4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((4ETHYL5(2(4NITROPYRAZOL1YL)ETHYL)124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2(4ETHYL5(2(4NITROPYRAZOLYL)ETHYL)(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))CCN3C=C(C=N3)(N+)(=O)(O)
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1CCn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H18N8O5Sc122315(67221014(91822)25(29)30)202117(23)311116(26)191243513(812)24(27)28h35810H26711H21H3(H1926)
MFCD03943037
ZINC000019644443
ZINC19644443
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