Vitas-M small molecule compound
N-(2-ethylphenyl)-2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STK261067
SMILES CCc1ccccc1NC(=O)Cc1nnc(n1C)SCC(=O)c1cccc(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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-3-14-7-4-5-10-17(14)22-20(28)12-19-23-24-21(25(19)2)31-13-18(27)15-8-6-9-16(11-15)26(29)30/h4-11H,3,12-13H2,1-2H3,(H,22,28)InChIKey
OPOFVIVAYAVKIS-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCc1ccccc1NC(=O)Cc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H21N5O4Sc13147451017(14)2220(28)1219232421(25(19)2)311318(27)1586916(1115)26(29)30h411H31213H212H3(H2228)
MFCD08670189
N(2ETHYLPHENYL)2(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ACETAMIDE
N(2ETHYLPHENYL)2(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)ACETAMIDE
N(2ETHYLPHENYL)2(4METHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ACETAMIDE
ZINC000009426758
ZINC09426758
ZINC9426758
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