Vitas-M small molecule compound
4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL042822
SMILES CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(ccc1Cl)[N+](=O)[O-])C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C18H16ClN5O3S MW 417.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O3S/c1-11(2)27-15-5-3-4-12(9-15)17-21-22-18(28)23(17)20-10-13-8-14(24(25)26)6-7-16(13)19/h3-11H,1-2H3,(H,22,28)/b20-10+InChIKey
YIWDHVXSFPSRHK-KEBDBYFISA-NSynonyms
586996-00-14(((E)(2chloro5nitrophenyl)methylidene)amino)5(3(propan2yloxy)phenyl)24dihydro3H124triazole3thione
4((1E)2(2CHLORO5NITROPHENYL)1AZAVINYL)5(3(METHYLETHOXY)PHENYL)124TRIAZOLE3THIOL
4((E)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)3(3PROPAN2YLOXYPHENYL)1H124TRIAZOLE5THIONE
586996001
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl
CC(Oc1cccc(c1)c1n(nH)c(=S)n1N=Cc1cc(ccc1Cl)(N+)(=O)(O))C
InChI=1SC18H16ClN5O3Sc111(2)271553412(915)17212218(28)23(17)201013814(24(25)26)6716(13)19h311H12H3(H2228)b2010+
MFCD05728644
ZINC000004647448
ZINC33335037
Check stock
See real-time availability and sample size for STL042822 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.