Vitas-M small molecule compound
3-(4-ethylphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094393
SMILES CCc1ccc(cc1)N1C(=S)NC2CC1(C)Oc1c2cc(cc1)[N+](=O)[O-]
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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 C19H19N3O3S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3S/c1-3-12-4-6-13(7-5-12)21-18(26)20-16-11-19(21,2)25-17-9-8-14(22(23)24)10-15(16)17/h4-10,16H,3,11H2,1-2H3,(H,20,26)InChIKey
YEIMRVRXBUYQFN-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)2methyl8nitro2356tetrahydro4H26methano135benzoxadiazocine4thione
CCC1=CC=C(C=C1)N2C(=S)NC3CC2(OC4=C3C=C(C=C4)(N+)(=O)(O))C
CCc1ccc(cc1)N1C(=S)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
InChI=1SC19H19N3O3Sc13124613(7512)2118(26)20161119(212)25179814(22(23)24)1015(16)17h41016H311H212H3(H2026)
MFCD15086276
ZINC000100032216
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