Vitas-M small molecule compound
8,10-dichloro-3-(4-methoxybenzyl)-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL124686
SMILES COc1ccc(cc1)CN1C(=S)NC2C(C1(C)Oc1c2cc(cc1Cl)Cl)C(=O)N(C)C
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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 C22H23Cl2N3O3S MW 480.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N3O3S/c1-22-17(20(28)26(2)3)18(15-9-13(23)10-16(24)19(15)30-22)25-21(31)27(22)11-12-5-7-14(29-4)8-6-12/h5-10,17-18H,11H2,1-4H3,(H,25,31)InChIKey
VOQRNMMKFIGOKW-UHFFFAOYSA-NSynonyms
810dichloro3(4methoxybenzyl)NN2trimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=CC(=CC(=C3O1)Cl)Cl)NC(=S)N2CC4=CC=C(C=C4)OC)C(=O)N(C)C
InChI=1SC22H23Cl2N3O3Sc12217(20(28)26(2)3)18(15913(23)1016(24)19(15)3022)2521(31)27(22)11125714(294)8612h5101718H11H214H3(H2531)
MFCD20735610
ZINC000226934381
ZINC000245247549
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