Vitas-M small molecule compound
(5Z)-6-hydroxy-5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-3-methylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK854696
SMILES COc1ccc(cc1)C1C/C(=C/2\C(=NC(=O)N(C2=O)C)O)/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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-24-20(26)18(19(25)23-21(24)27)15-11-17(12-7-9-13(28-2)10-8-12)29-16-6-4-3-5-14(16)22-15/h3-10,17,22H,11H2,1-2H3,(H,23,25,27)/b18-15-InChIKey
ZOCQHPYFXVNTJI-SDXDJHTJSA-NSynonyms
(5Z)5(2(4methoxyphenyl)35dihydro2H15benzothiazepin4ylidene)1methyl13diazinane246trione
(5Z)6hydroxy5(2(4methoxyphenyl)23dihydro15benzothiazepin4(5H)ylidene)3methylpyrimidine24(3H5H)dione
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)OC)C(=O)NC1=O
COc1ccc(cc1)C1CC(=C2C(=NC(=O)N(C2=O)C)O)Nc2c(S1)cccc2
InChI=1SC21H19N3O4Sc12420(26)18(19(25)2321(24)27)151117(127913(282)10812)2916643514(16)2215h3101722H11H212H3(H232527)b1815
MFCD07796157
ZINC000008974848
ZINC000008974849
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