Vitas-M small molecule compound
ethyl 4-({(2E)-6-(methylcarbamoyl)-4-oxo-3-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,3-thiazinan-2-ylidene}amino)benzoate
Catalog ID
STK767514
SMILES CCOC(=O)c1ccc(cc1)/N=C\1/SC(CC(=O)N1CCC12CC3CC(C2)CC(C1)C3)C(=O)NC
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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 C27H35N3O4S MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O4S/c1-3-34-25(33)20-4-6-21(7-5-20)29-26-30(23(31)13-22(35-26)24(32)28-2)9-8-27-14-17-10-18(15-27)12-19(11-17)16-27/h4-7,17-19,22H,3,8-16H2,1-2H3,(H,28,32)/b29-26+InChIKey
RXHFXIQXXTVTLR-PBBVDAKRSA-NSynonyms
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1CCC12CC3CC(C2)CC(C1)C3)C(=O)NC
ethyl4(((2E)6(methylcarbamoyl)4oxo3(2(tricyclo(3311~37~)dec1yl)ethyl)13thiazinan2ylidene)amino)benzoate
MFCD03034629
ZINC000100113412
ZINC000100113418
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