Vitas-M small molecule compound
ethyl 3-(4-chlorophenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092828
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1ccc(cc1)Cl
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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 C21H21ClN2O4S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S/c1-4-27-19(25)16-17-14-6-5-7-15(26-3)18(14)28-21(16,2)24(20(29)23-17)13-10-8-12(22)9-11-13/h5-11,16-17H,4H2,1-3H3,(H,23,29)InChIKey
XIZSIOITPNKEDU-UHFFFAOYSA-NSynonyms
1005287-32-01005287320
CCOC(=O)C1C2C3=C(C(=CC=C3)OC)OC1(N(C(=S)N2)C4=CC=C(C=C4)Cl)C
ethyl3(4chlorophenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H21ClN2O4Sc142719(25)16171465715(263)18(14)2821(162)24(20(29)2317)1310812(22)91113h5111617H4H213H3(H2329)
MFCD15085835
ZINC000100029548
ZINC000100029550
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