Vitas-M small molecule compound
ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092812
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1)c1cccc(c1)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 C20H18Cl2N2O3S MW 437.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O3S/c1-3-26-18(25)16-17-14-10-12(22)7-8-15(14)27-20(16,2)24(19(28)23-17)13-6-4-5-11(21)9-13/h4-10,16-17H,3H2,1-2H3,(H,23,28)InChIKey
VEVNXOADTPNPEO-UHFFFAOYSA-NSynonyms
1024235-93-51024235935
CCOC(=O)C1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C
ethyl8chloro3(3chlorophenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC20H18Cl2N2O3Sc132618(25)1617141012(22)7815(14)2720(162)24(19(28)2317)1364511(21)913h4101617H3H212H3(H2328)
MFCD04445086
ZINC000100889959
ZINC000100889962
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