Vitas-M small molecule compound
5-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK853020
SMILES COc1ccc(cc1OC)C1CC(=C2C(=O)N(C)C(=O)N(C2=O)C)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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-25-21(27)20(22(28)26(2)23(25)29)15-12-19(32-18-8-6-5-7-14(18)24-15)13-9-10-16(30-3)17(11-13)31-4/h5-11,19,24H,12H2,1-4H3InChIKey
FESSVTIZAREFRI-UHFFFAOYSA-NSynonyms
5(2(34dimethoxyphenyl)23dihydro15benzothiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(34dimethoxyphenyl)23dihydrobenzo(b)(14)thiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(34DIMETHOXYPHENYL)35DIHYDRO2H15BENZOTHIAZEPIN4YLIDENE)13DIMETHYL13DIAZINANE246TRIONE
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC)C(=O)N(C1=O)C
InChI=1SC23H23N3O5Sc12521(27)20(22(28)26(2)23(25)29)151219(3218865714(18)2415)1391016(303)17(1113)314h5111924H12H214H3
MFCD06791521
ZINC000009353135
ZINC000009353136
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