Vitas-M small molecule compound
4-(3-ethoxypropyl)-5-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307434
SMILES CCOCCCn1c(S)nnc1c1ccc(cc1)Cn1ncc(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 C17H20N6O3S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N6O3S/c1-2-26-9-3-8-22-16(19-20-17(22)27)14-6-4-13(5-7-14)11-21-12-15(10-18-21)23(24)25/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,27)InChIKey
FUVSZZDVVDIRRJ-UHFFFAOYSA-NSynonyms
1005565-44-51005565445
4(3ETHOXYPROPYL)3(4((4NITROPYRAZOL1YL)METHYL)PHENYL)1H124TRIAZOLE5THIONE
4(3ethoxypropyl)5(4((4nitro1Hpyrazol1yl)methyl)phenyl)4H124triazole3thiol
CCOCCCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C=C(C=N3)(N+)(=O)(O)
CCOCCCn1c(S)nnc1c1ccc(cc1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H20N6O3Sc12269382216(192017(22)27)146413(5714)11211215(101821)23(24)25h471012H238911H21H3(H2027)
MFCD04053671
ZINC000008477673
ZINC08477673
ZINC8477673
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