Vitas-M small molecule compound
2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Catalog ID
STK142074
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1COc1ccc(cc1)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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-3-24-18(12-29-17-10-4-14(2)5-11-17)22-23-20(24)30-13-19(26)21-15-6-8-16(9-7-15)25(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,26)InChIKey
SFLQEUFRZHYJRD-UHFFFAOYSA-NSynonyms
2((4ETHYL5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((4ETHYL5((4METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2(4ETHYL5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))N(4NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))COC3=CC=C(C=C3)C
CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1COc1ccc(cc1)C
InChI=1SC20H21N5O4Sc132418(12291710414(2)51117)222320(24)301319(26)21156816(9715)25(27)28h411H31213H212H3(H2126)
MFCD04215133
ZINC000009601354
ZINC09601354
ZINC9601354
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