Vitas-M small molecule compound
5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK852419
SMILES Clc1ccc(cc1)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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-24-19(26)18(20(27)25(2)21(24)28)15-11-17(12-7-9-13(22)10-8-12)29-16-6-4-3-5-14(16)23-15/h3-10,17,23H,11H2,1-2H3InChIKey
ZIZHRPASJUKOAQ-UHFFFAOYSA-NSynonyms
5(2(4chlorophenyl)23dihydro15benzothiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(4chlorophenyl)23dihydrobenzo(b)(14)thiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(4chlorophenyl)35dihydro2H15benzothiazepin4ylidene)13dimethyl13diazinane246trione
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)N(C1=O)C
InChI=1SC21H18ClN3O3Sc12419(26)18(20(27)25(2)21(24)28)151117(127913(22)10812)2916643514(16)2315h3101723H11H212H3
MFCD07639120
ZINC000009128713
ZINC000009128714
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