Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-ethoxy-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192552
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cccc1OCC)C(=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 C26H33N3O4S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4S/c1-6-32-20-10-7-9-18-22-21(24(30)27-19-12-11-16(2)15-17(19)3)26(4,33-23(18)20)29(25(34)28-22)13-8-14-31-5/h7,9-12,15,21-22H,6,8,13-14H2,1-5H3,(H,27,30)(H,28,34)InChIKey
ZYEXBYDDKWRIGU-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3CCCOC)C(=O)NC4=C(C=C(C=C4)C)C)C
InChI=1SC26H33N3O4Sc1632201079182221(24(30)2719121116(2)1517(19)3)26(43323(18)20)29(25(34)2822)13814315h7912152122H681314H215H3(H2730)(H2834)
MFCD15086043
N(24dimethylphenyl)10ethoxy3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000242750737
ZINC000242750738
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