Vitas-M small molecule compound
N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Catalog ID
STK186972
SMILES CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1CNC(=O)c1cccc(c1)C
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-3-25-19(12-22-20(28)16-8-4-6-14(2)10-16)23-24-21(25)31-13-18(27)15-7-5-9-17(11-15)26(29)30/h4-11H,3,12-13H2,1-2H3,(H,22,28)InChIKey
ABRLAXYTARDOAB-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC(=CC=C3)C
CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1CNC(=O)c1cccc(c1)C
InChI=1SC21H21N5O4Sc132519(122220(28)1684614(2)1016)232421(25)311318(27)1575917(1115)26(29)30h411H31213H212H3(H2228)
MFCD06006142
N((4ETHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((4ETHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000001060701
ZINC01060701
ZINC1060701
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