Vitas-M small molecule compound
3-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL441708
SMILES Cc1nn(c(c1)C(F)(F)F)c1scc(n1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C20H18F3N5O2S MW 449.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N5O2S/c1-11-5-16(20(21,22)23)28(25-11)19-24-14(10-31-19)18(30)26-7-12-6-13(9-26)15-3-2-4-17(29)27(15)8-12/h2-5,10,12-13H,6-9H2,1H3InChIKey
UWNXENSQSXNBRF-UHFFFAOYSA-NSynonyms
3((2(3methyl5(trifluoromethyl)1Hpyrazol1yl)13thiazol4yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC20H18F3N5O2Sc111516(20(2122)23)28(2511)192414(103119)18(30)26712613(926)1532417(29)27(15)812h25101213H69H21H3
MFCD08273407
ZINC000033435723
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