Vitas-M small molecule compound
N-[1-(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-2-fluorobenzamide
Catalog ID
STK497556
SMILES CCn1c(SCC(=O)N2CCOCC2)nnc1C(C(C)C)NC(=O)c1ccccc1F
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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 C21H28FN5O3S MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN5O3S/c1-4-27-19(18(14(2)3)23-20(29)15-7-5-6-8-16(15)22)24-25-21(27)31-13-17(28)26-9-11-30-12-10-26/h5-8,14,18H,4,9-13H2,1-3H3,(H,23,29)InChIKey
IANQMUQCDPLCPC-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)N2CCOCC2)C(C(C)C)NC(=O)C3=CC=CC=C3F
InChI=1SC21H28FN5O3Sc142719(18(14(2)3)2320(29)15756816(15)22)242521(27)311317(28)2691130121026h581418H4913H213H3(H2329)
MFCD11854944
N(1(4ethyl5((2(morpholin4yl)2oxoethyl)sulfanyl)4H124triazol3yl)2methylpropyl)2fluorobenzamide
N(1(4ethyl5(2morpholin4yl2oxoethyl)sulfanyl124triazol3yl)2methylpropyl)2fluorobenzamide
ZINC000032579298
ZINC000032579299
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