Vitas-M small molecule compound
5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK847718
SMILES COc1ccc(cc1O)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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-24-20(27)19(21(28)25(2)22(24)29)14-11-18(12-8-9-16(30-3)15(26)10-12)31-17-7-5-4-6-13(17)23-14/h4-10,18,23,26H,11H2,1-3H3InChIKey
HODKJMSRWPTESW-UHFFFAOYSA-NSynonyms
5(2(3hydroxy4methoxyphenyl)23dihydro15benzothiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(3hydroxy4methoxyphenyl)23dihydrobenzo(b)(14)thiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(3hydroxy4methoxyphenyl)35dihydro2H15benzothiazepin4ylidene)13dimethyl13diazinane246trione
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)O)C(=O)N(C1=O)C
InChI=1SC22H21N3O5Sc12420(27)19(21(28)25(2)22(24)29)141118(128916(303)15(26)1012)3117754613(17)2314h410182326H11H213H3
MFCD07638582
ZINC000009433973
ZINC000009433974
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