Vitas-M small molecule compound
3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide
Catalog ID
STK043598
SMILES S=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)NC(=O)c1oc2c(c1C)cccc2
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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 C22H19F3N4O4S MW 492.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N4O4S/c1-13-15-4-2-3-5-18(15)33-19(13)20(30)26-21(34)28-10-8-27(9-11-28)16-7-6-14(22(23,24)25)12-17(16)29(31)32/h2-7,12H,8-11H2,1H3,(H,26,30,34)InChIKey
RGLQJYKIOZCLRU-UHFFFAOYSA-NSynonyms
371212-92-9(3METHYLBENZO(D)FURAN2YL)N((4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)THIOXOMETHYL)CARBOXAMIDE
371212929
3METHYLN((4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)CARBONOTHIOYL)1BENZOFURAN2CARBOXAMIDE
3methylN(4(2nitro4(trifluoromethyl)phenyl)piperazine1carbonothioyl)benzofuran2carboxamide
3METHYLN(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOYL)1BENZOFURAN2CARBOXAMIDE
CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC22H19F3N4O4Sc11315423518(15)3319(13)20(30)2621(34)2810827(91128)167614(22(2324)25)1217(16)29(31)32h2712H811H21H3(H263034)
MFCD03010019
S=C(N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)NC(=O)c1oc2c(c1C)cccc2
STK043598
ZINC000008971284
ZINC08971284
ZINC8971284
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