Vitas-M small molecule compound
(5Z)-5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK604009
SMILES COc1ccc(cc1OC)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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-25-21(27)19(20(26)24-22(25)28)14-11-18(31-17-7-5-4-6-13(17)23-14)12-8-9-15(29-2)16(10-12)30-3/h4-10,18,23H,11H2,1-3H3,(H,24,26,28)/b19-14-InChIKey
HBPIWWODQZUFPV-RGEXLXHISA-NSynonyms
(5Z)5(2(34dimethoxyphenyl)23dihydro15benzothiazepin4(5H)ylidene)6hydroxy3methylpyrimidine24(3H5H)dione
(5Z)5(2(34dimethoxyphenyl)35dihydro2H15benzothiazepin4ylidene)1methyl13diazinane246trione
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC)C(=O)NC1=O
COc1ccc(cc1OC)C1CC(=C2C(=NC(=O)N(C2=O)C)O)Nc2c(S1)cccc2
InChI=1SC22H21N3O5Sc12521(27)19(20(26)2422(25)28)141118(3117754613(17)2314)128915(292)16(1012)303h4101823H11H213H3(H242628)b1914
MFCD07797132
ZINC000009130035
ZINC000009130036
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