Vitas-M small molecule compound

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

Catalog ID
STL352298
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)c1cccc(c1)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 C24H18FN5O4S MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN5O4S/c1-29-22(16-5-4-6-17(13-16)26-23(32)19-7-2-3-8-20(19)25)27-28-24(29)35-14-21(31)15-9-11-18(12-10-15)30(33)34/h2-13H,14H2,1H3,(H,26,32)
InChIKey
VGYOHAXRHZQIFO-UHFFFAOYSA-N
Synonyms
496053-91-9
2fluoroN(3(4methyl5((2(4nitrophenyl)2oxoethyl)sulfanyl)4H124triazol3yl)phenyl)benzamide
2fluoroN(3(4methyl5((2(4nitrophenyl)2oxoethyl)thio)4H124triazol3yl)phenyl)benzamide
2FLUORON(3(4METHYL5(2(4NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)BENZAMIDE
2FLUORON(3(4METHYL5(2(4NITROPHENYL)2OXOETHYLTHIO)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2FLUORON(3(5((2(4NITROPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)BENZAMIDE
496053919
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F
InChI=1SC24H18FN5O4Sc12922(1654617(1316)2623(32)19723820(19)25)272824(29)351421(31)1591118(121015)30(33)34h213H14H21H3(H2632)
MFCD03082245
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)c1cccc(c1)NC(=O)c1ccccc1F
ZINC000001165407
ZINC01165407
ZINC1165407

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Available files

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