Vitas-M small molecule compound
[3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](furan-2-yl)methanone
Catalog ID
STL192573
SMILES Fc1ccc(cc1)N1C(=S)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccco1
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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 C22H17FN2O3S MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O3S/c1-22-13-17(16-5-2-3-6-18(16)28-22)24(20(26)19-7-4-12-27-19)21(29)25(22)15-10-8-14(23)9-11-15/h2-12,17H,13H2,1H3InChIKey
CMUQPQFUNNJOLD-UHFFFAOYSA-NSynonyms
(3(4fluorophenyl)2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(furan2yl)methanone
CC12CC(C3=CC=CC=C3O1)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC=CO5
InChI=1SC22H17FN2O3Sc1221317(16523618(16)2822)24(20(26)1974122719)21(29)25(22)1510814(23)91115h21217H13H21H3
MFCD05032284
ZINC000004821876
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