Vitas-M small molecule compound
{7-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(5-ethylthiophen-2-yl)methanone
Catalog ID
STL177996
SMILES COc1cc(ccc1OC(F)F)C1C(=C(Nc2n1ncn2)C(F)(F)F)C(=O)c1ccc(s1)CC
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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 C21H17F5N4O3S MW 500.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F5N4O3S/c1-3-11-5-7-14(34-11)17(31)15-16(10-4-6-12(33-19(22)23)13(8-10)32-2)30-20(27-9-28-30)29-18(15)21(24,25)26/h4-9,16,19H,3H2,1-2H3,(H,27,28,29)InChIKey
YENYTDTWLCIDSU-UHFFFAOYSA-NSynonyms
832140-80-4(7(4(difluoromethoxy)3methoxyphenyl)5(trifluoromethyl)17dihydro(124)triazolo(15a)pyrimidin6yl)(5ethylthiophen2yl)methanone
(7(4(difluoromethoxy)3methoxyphenyl)5(trifluoromethyl)47dihydro(124)triazolo(15a)pyrimidin6yl)(5ethylthiophen2yl)methanone
832140804
CCC1=CC=C(S1)C(=O)C2=C(N=C3N=CNN3C2C4=CC(=C(C=C4)OC(F)F)OC)C(F)(F)F
InChI=1SC21H17F5N4O3Sc13115714(3411)17(31)1516(104612(3319(22)23)13(810)322)3020(2792830)2918(15)21(2425)26h491619H3H212H3(H272829)
MFCD04136511
ZINC000002806893
ZINC000002806894
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