Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192545
SMILES CCOc1cccc2c1OC1(C)N(C(=S)NC2C1C(=O)Nc1ccc(cc1C)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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-6-34-23-9-7-8-21-25-24(27(33)30-22-15-12-18(3)16-19(22)4)29(5,35-26(21)23)32(28(36)31-25)20-13-10-17(2)11-14-20/h7-16,24-25H,6H2,1-5H3,(H,30,33)(H,31,36)InChIKey
YSKZNRLBGGOXNM-UHFFFAOYSA-NSynonyms
1024068-51-61024068516
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC=C(C=C4)C)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC29H31N3O3Sc163423978212524(27(33)3022151218(3)1619(22)4)29(53526(21)23)32(28(36)3125)20131017(2)111420h7162425H6H215H3(H3033)(H3136)
MFCD15086036
N(24dimethylphenyl)10ethoxy2methyl3(4methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000104786191
ZINC000245246002
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