Vitas-M small molecule compound

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

Catalog ID
STK245593
SMILES O=C(Nc1ccc(cc1)F)CCc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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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 C20H18FN5O4S MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O4S/c1-25-18(9-10-19(28)22-15-7-5-14(21)6-8-15)23-24-20(25)31-12-17(27)13-3-2-4-16(11-13)26(29)30/h2-8,11H,9-10,12H2,1H3,(H,22,28)
InChIKey
FXWKMCDMHRFQBF-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCC(=O)NC3=CC=C(C=C3)F
InChI=1SC20H18FN5O4Sc12518(91019(28)22157514(21)6815)232420(25)311217(27)1332416(1113)26(29)30h2811H91012H21H3(H2228)
MFCD08670209
N(4FLUOROPHENYL)3(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PROPANAMIDE
N(4FLUOROPHENYL)3(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)PROPANAMIDE
N(4FLUOROPHENYL)3(4METHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)PROPIONAMIDE
O=C(Nc1ccc(cc1)F)CCc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000009327592
ZINC09327592
ZINC9327592

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Available files

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