Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192565
SMILES COc1cccc2c1OC1(C)N(Cc3ccc4c(c3)OCO4)C(=S)NC2C1C(=O)Nc1ccc(cc1C)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 C29H29N3O5S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5S/c1-16-8-10-20(17(2)12-16)30-27(33)24-25-19-6-5-7-22(34-4)26(19)37-29(24,3)32(28(38)31-25)14-18-9-11-21-23(13-18)36-15-35-21/h5-13,24-25H,14-15H2,1-4H3,(H,30,33)(H,31,38)InChIKey
AAWRDIRQBTZOEU-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)N(24dimethylphenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C(=CC=C4)OC)OC2(N(C(=S)N3)CC5=CC6=C(C=C5)OCO6)C)C
InChI=1SC29H29N3O5Sc11681020(17(2)1216)3027(33)24251965722(344)26(19)3729(243)32(28(38)3125)14189112123(1318)36153521h5132425H1415H214H3(H3033)(H3138)
MFCD15086205
ZINC000100031749
ZINC000100031754
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