Vitas-M small molecule compound
(5Z)-5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK630239
SMILES Brc1ccc(cc1)C1C/C(=C/2\C(=O)N=C(N(C2=O)C)S)/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 C20H16BrN3O2S2 MW 474.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O2S2/c1-24-19(26)17(18(25)23-20(24)27)14-10-16(11-6-8-12(21)9-7-11)28-15-5-3-2-4-13(15)22-14/h2-9,16,22H,10H2,1H3,(H,23,25,27)/b17-14-InChIKey
KZIOHMZRDRMDBA-VKAVYKQESA-NSynonyms
Brc1ccc(cc1)C1CC(=C2C(=O)N=C(N(C2=O)C)S)Nc2c(S1)cccc2
MFCD09797416
ZINC000009420414
ZINC000009420415
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