Vitas-M small molecule compound
N-(4-chloro-3-nitrophenyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK435095
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)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 C17H17ClN8O5S MW 480.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN8O5S/c1-2-24-15(5-6-23-9-12(8-19-23)25(28)29)21-22-17(24)32-10-16(27)20-11-3-4-13(18)14(7-11)26(30)31/h3-4,7-9H,2,5-6,10H2,1H3,(H,20,27)InChIKey
ADCKIWJHMVTEJE-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)(N+)(=O)(O))CCN3C=C(C=N3)(N+)(=O)(O)
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))Cl)nnc1CCn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H17ClN8O5Sc122415(5623912(81923)25(28)29)212217(24)321016(27)20113413(18)14(711)26(30)31h3479H25610H21H3(H2027)
MFCD03942987
N(4chloro3nitrophenyl)2((4ethyl5(2(4nitro1Hpyrazol1yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
N(4CHLORO3NITROPHENYL)2((4ETHYL5(2(4NITROPYRAZOL1YL)ETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLORO3NITROPHENYL)2(4ETHYL5(2(4NITROPYRAZOLYL)ETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000020214466
ZINC20214466
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