Vitas-M small molecule compound
ethyl 3-(4-fluorophenyl)-2-methyl-8-nitro-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094372
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(cc1)[N+](=O)[O-])c1ccc(cc1)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 C20H18FN3O5S MW 431.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O5S/c1-3-28-18(25)16-17-14-10-13(24(26)27)8-9-15(14)29-20(16,2)23(19(30)22-17)12-6-4-11(21)5-7-12/h4-10,16-17H,3H2,1-2H3,(H,22,30)InChIKey
FECBXBOAEJTKAZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)(N+)(=O)(O))OC1(N(C(=S)N2)C4=CC=C(C=C4)F)C
CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(cc1)(N+)(=O)(O))c1ccc(cc1)F
ethyl3(4fluorophenyl)2methyl8nitro4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC20H18FN3O5Sc132818(25)1617141013(24(26)27)8915(14)2920(162)23(19(30)2217)126411(21)5712h4101617H3H212H3(H2230)
MFCD15085873
ZINC000100029689
ZINC000100029691
Check stock
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