Vitas-M small molecule compound
(5Z)-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK630315
SMILES COc1ccccc1C1C/C(=C/2\C(=O)N=C(N(C2=O)C)S)/Nc2c(S1)cccc2
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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 C21H19N3O3S2 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S2/c1-24-20(26)18(19(25)23-21(24)28)14-11-17(12-7-3-5-9-15(12)27-2)29-16-10-6-4-8-13(16)22-14/h3-10,17,22H,11H2,1-2H3,(H,23,25,28)/b18-14-InChIKey
QOQLQZOKCVTTGA-JXAWBTAJSA-NSynonyms
COc1ccccc1C1CC(=C2C(=O)N=C(N(C2=O)C)S)Nc2c(S1)cccc2
MFCD09797040
ZINC000009419855
ZINC000009419856
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