Vitas-M small molecule compound
methyl 10-methoxy-2-methyl-4-thioxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094735
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1cccc(c1)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 C21H19F3N2O4S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N2O4S/c1-20-15(18(27)29-3)16(13-8-5-9-14(28-2)17(13)30-20)25-19(31)26(20)12-7-4-6-11(10-12)21(22,23)24/h4-10,15-16H,1-3H3,(H,25,31)InChIKey
BEJMEHSATUCJHS-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=CC(=C4)C(F)(F)F)C(=O)OC
InChI=1SC21H19F3N2O4Sc12015(18(27)293)16(1385914(282)17(13)3020)2519(31)26(20)1274611(1012)21(2223)24h4101516H13H3(H2531)
methyl10methoxy2methyl4thioxo3(3(trifluoromethyl)phenyl)3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD14746270
ZINC000104771101
ZINC000104771106
Check stock
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Check stock on Vitas-MAvailable files
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