Vitas-M small molecule compound

methyl 4-{[(2Z)-6-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

Catalog ID
STK767210
SMILES CCOc1cc(CCNC(=O)C2CC(=O)N(/C(=N/c3ccc(cc3)C(=O)OC)/S2)CC)ccc1OCC

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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 C27H33N3O6S MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6S/c1-5-30-24(31)17-23(37-27(30)29-20-11-9-19(10-12-20)26(33)34-4)25(32)28-15-14-18-8-13-21(35-6-2)22(16-18)36-7-3/h8-13,16,23H,5-7,14-15,17H2,1-4H3,(H,28,32)/b29-27-
InChIKey
VKKGMRCKQVRCDT-OHYPFYFLSA-N
Synonyms

CCOc1cc(CCNC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)C(=O)OC)S2)CC)ccc1OCC
methyl4(((2Z)6((2(34diethoxyphenyl)ethyl)carbamoyl)3ethyl4oxo13thiazinan2ylidene)amino)benzoate
MFCD03034266
ZINC000008856088
ZINC000012412077

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.