Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-8-methoxy-2-methyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192558
SMILES COc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1C)C)C)c1ccc(cc1)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-16-6-9-19(10-7-16)31-27(35)30-25-21-15-20(33-5)11-13-23(21)34-28(31,4)24(25)26(32)29-22-12-8-17(2)14-18(22)3/h6-15,24-25H,1-5H3,(H,29,32)(H,30,35)InChIKey
JJDKZFMUXGCCIS-UHFFFAOYSA-NSynonyms
1022331-95-81022331958
CC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)OC)C)C(=O)NC5=C(C=C(C=C5)C)C
InChI=1SC28H29N3O3Sc1166919(10716)3127(35)3025211520(335)111323(21)3428(314)24(25)26(32)292212817(2)1418(22)3h6152425H15H3(H2932)(H3035)
MFCD15086015
N(24dimethylphenyl)8methoxy2methyl3(4methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000002962919
ZINC000216178358
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