Vitas-M small molecule compound

2-fluoro-N-{2-[4-methyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Catalog ID
STK245545
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)CCNC(=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 C20H19FN6O4S MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN6O4S/c1-26-17(10-11-22-19(29)15-4-2-3-5-16(15)21)24-25-20(26)32-12-18(28)23-13-6-8-14(9-7-13)27(30)31/h2-9H,10-12H2,1H3,(H,22,29)(H,23,28)
InChIKey
QMZRBMDZMKBWSB-UHFFFAOYSA-N
Synonyms

2FLUORON(2(4METHYL5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(4METHYL5((4NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(4METHYL5(2(4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CCNC(=O)C3=CC=CC=C3F
InChI=1SC20H19FN6O4Sc12617(10112219(29)15423516(15)21)242520(26)321218(28)23136814(9713)27(30)31h29H1012H21H3(H2229)(H2328)
MFCD08670139
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)CCNC(=O)c1ccccc1F
ZINC000009306265
ZINC09306265
ZINC9306265

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Available files

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