Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3-{4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propanamide
Catalog ID
STK246102
SMILES CCn1c(CCC(=O)Nc2ccc(c(c2)Cl)C)nnc1SCc1ccccc1[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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-3-26-19(10-11-20(28)23-16-9-8-14(2)17(22)12-16)24-25-21(26)31-13-15-6-4-5-7-18(15)27(29)30/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,28)InChIKey
LXNAYFBQZMUKBY-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=CC=CC=C2(N+)(=O)(O))CCC(=O)NC3=CC(=C(C=C3)C)Cl
CCn1c(CCC(=O)Nc2ccc(c(c2)Cl)C)nnc1SCc1ccccc1(N+)(=O)(O)
InChI=1SC21H22ClN5O3Sc132619(101120(28)23169814(2)17(22)1216)242521(26)311315645718(15)27(29)30h4912H3101113H212H3(H2328)
MFCD08683111
N(3chloro4methylphenyl)3(4ethyl5((2nitrobenzyl)sulfanyl)4H124triazol3yl)propanamide
N(3chloro4methylphenyl)3(4ethyl5((2nitrophenyl)methylsulfanyl)124triazol3yl)propanamide
N(3CHLORO4METHYLPHENYL)3(4ETHYL5(2NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)PROPIONAMIDE
ZINC000009328784
ZINC09328784
ZINC9328784
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