Vitas-M small molecule compound
N-{1-[4-ethyl-5-({2-[(4-fluoro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}furan-2-carboxamide
Catalog ID
STK498184
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)F)nnc1C(NC(=O)c1ccco1)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 C20H22FN5O3S MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN5O3S/c1-4-26-18(13(3)22-19(28)16-6-5-9-29-16)24-25-20(26)30-11-17(27)23-15-8-7-14(21)10-12(15)2/h5-10,13H,4,11H2,1-3H3,(H,22,28)(H,23,27)InChIKey
PTFUSNDKVYYQDL-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)C)C(C)NC(=O)C3=CC=CO3
InChI=1SC20H22FN5O3Sc142618(13(3)2219(28)166592916)242520(26)301117(27)23158714(21)1012(15)2h51013H411H213H3(H2228)(H2327)
MFCD11855351
N(1(4ethyl5((2((4fluoro2methylphenyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)ethyl)furan2carboxamide
N(1(4ethyl5(2(4fluoro2methylanilino)2oxoethyl)sulfanyl124triazol3yl)ethyl)furan2carboxamide
ZINC000032579617
ZINC000032579618
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