Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-8,10-dichloro-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL124601
SMILES Clc1cc(Cl)c2c(c1)C1NC(=S)N(C(O2)(C1C(=O)N(C)C)C)Cc1ccc2c(c1)OCO2
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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 C22H21Cl2N3O4S MW 494.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O4S/c1-22-17(20(28)26(2)3)18(13-7-12(23)8-14(24)19(13)31-22)25-21(32)27(22)9-11-4-5-15-16(6-11)30-10-29-15/h4-8,17-18H,9-10H2,1-3H3,(H,25,32)InChIKey
WSAAYRFCILREAR-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)810dichloroNN2trimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=CC(=CC(=C3O1)Cl)Cl)NC(=S)N2CC4=CC5=C(C=C4)OCO5)C(=O)N(C)C
InChI=1SC22H21Cl2N3O4Sc12217(20(28)26(2)3)18(13712(23)814(24)19(13)3122)2521(32)27(22)911451516(611)30102915h481718H910H213H3(H2532)
MFCD20734606
ZINC000106811906
ZINC000226931409
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