Vitas-M small molecule compound
(5Z)-5-[2-(2,5-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK623563
SMILES COc1ccc(c(c1)C1C/C(=C/2\C(=O)N=C(N(C2=O)C)S)/Nc2c(S1)cccc2)OC
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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 C22H21N3O4S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S2/c1-25-21(27)19(20(26)24-22(25)30)15-11-18(31-17-7-5-4-6-14(17)23-15)13-10-12(28-2)8-9-16(13)29-3/h4-10,18,23H,11H2,1-3H3,(H,24,26,30)/b19-15-InChIKey
PJVRZCNWUGTTEE-CYVLTUHYSA-NSynonyms
COc1ccc(c(c1)C1CC(=C2C(=O)N=C(N(C2=O)C)S)Nc2c(S1)cccc2)OC
MFCD09795545
ZINC000009420440
ZINC000009420441
Check stock
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Check stock on Vitas-MAvailable files
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