Vitas-M small molecule compound
[7-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethylthiophen-2-yl)methanone
Catalog ID
STL175230
SMILES CCc1ccc(s1)C(=O)C1=C(Nc2n(C1c1ccc3c(c1)OCO3)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 C20H15F3N4O3S MW 448.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N4O3S/c1-2-11-4-6-14(31-11)17(28)15-16(10-3-5-12-13(7-10)30-9-29-12)27-19(24-8-25-27)26-18(15)20(21,22)23/h3-8,16H,2,9H2,1H3,(H,24,25,26)InChIKey
HWADMVRLSJQECL-UHFFFAOYSA-NSynonyms
938007-18-2(7(13benzodioxol5yl)5(trifluoromethyl)17dihydro(124)triazolo(15a)pyrimidin6yl)(5ethylthiophen2yl)methanone
(7(13benzodioxol5yl)5(trifluoromethyl)47dihydro(124)triazolo(15a)pyrimidin6yl)(5ethylthiophen2yl)methanone
938007182
CCC1=CC=C(S1)C(=O)C2=C(N=C3N=CNN3C2C4=CC5=C(C=C4)OCO5)C(F)(F)F
InChI=1SC20H15F3N4O3Sc12114614(3111)17(28)1516(10351213(710)3092912)2719(2482527)2618(15)20(2122)23h3816H29H21H3(H242526)
MFCD08558740
ZINC000020607204
ZINC000020607205
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