Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-methoxy-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192566
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cccc1OC)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 C25H31N3O4S MW 469.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4S/c1-15-10-11-18(16(2)14-15)26-23(29)20-21-17-8-6-9-19(31-5)22(17)32-25(20,3)28(24(33)27-21)12-7-13-30-4/h6,8-11,14,20-21H,7,12-13H2,1-5H3,(H,26,29)(H,27,33)InChIKey
ASSAXNOCJHRIIR-UHFFFAOYSA-NSynonyms
1005087-26-21005087262
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C(=CC=C4)OC)OC2(N(C(=S)N3)CCCOC)C)C
InChI=1SC25H31N3O4Sc115101118(16(2)1415)2623(29)20211786919(315)22(17)3225(203)28(24(33)2721)12713304h6811142021H71213H215H3(H2629)(H2733)
MFCD15086032
N(24dimethylphenyl)10methoxy3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031076
ZINC000100031078
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