Vitas-M small molecule compound
(5-methylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Catalog ID
STK313425
SMILES Cc1ccc(s1)C(=O)C1=C(Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2)C(F)(F)F
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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 C18H12F3N5O3S MW 435.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12F3N5O3S/c1-9-5-6-12(30-9)15(27)13-14(10-3-2-4-11(7-10)26(28)29)25-17(22-8-23-25)24-16(13)18(19,20)21/h2-8,14H,1H3,(H,22,23,24)InChIKey
HUTPBUZIWHXUNC-UHFFFAOYSA-NSynonyms
832741-52-3(5methylthiophen2yl)(7(3nitrophenyl)5(trifluoromethyl)17dihydro(124)triazolo(15a)pyrimidin6yl)methanone
(5methylthiophen2yl)(7(3nitrophenyl)5(trifluoromethyl)47dihydro(124)triazolo(15a)pyrimidin6yl)methanone
832741523
CC1=CC=C(S1)C(=O)C2=C(N=C3N=CNN3C2C4=CC(=CC=C4)(N+)(=O)(O))C(F)(F)F
Cc1ccc(s1)C(=O)C1=C(Nc2n(C1c1cccc(c1)(N+)(=O)(O))ncn2)C(F)(F)F
InChI=1SC18H12F3N5O3Sc195612(309)15(27)1314(1032411(710)26(28)29)2517(2282325)2416(13)18(1920)21h2814H1H3(H222324)
MFCD04140889
ZINC000002732252
ZINC000002732253
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