Vitas-M small molecule compound
2-methyl-3-(3-methylphenyl)-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL192502
SMILES Cc1cccc(c1)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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-11-4-3-5-12(8-11)20-17(25)19-15-10-18(20,2)24-16-7-6-13(21(22)23)9-14(15)16/h3-9,15H,10H2,1-2H3,(H,19,25)InChIKey
KNPJJEXXQHLDAS-UHFFFAOYSA-NSynonyms
702656-38-02methyl3(3methylphenyl)8nitro2356tetrahydro4H26methano135benzoxadiazocine4thione
702656380
CC1=CC(=CC=C1)N2C(=S)NC3CC2(OC4=C3C=C(C=C4)(N+)(=O)(O))C
Cc1cccc(c1)N1C(=S)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
InChI=1SC18H17N3O3Sc11143512(811)2017(25)19151018(202)24167613(21(22)23)914(15)16h3915H10H212H3(H1925)
MFCD15086274
ZINC000002963593
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