Vitas-M small molecule compound
(5Z)-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Catalog ID
STK854179
SMILES Clc1ccc(cc1)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 C20H16ClN3O3S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O3S/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
JYITXVGECNYZHK-VKAVYKQESA-NSynonyms
(5Z)5(2(4chlorophenyl)23dihydro15benzothiazepin4(5H)ylidene)6hydroxy3methylpyrimidine24(3H5H)dione
(5Z)5(2(4chlorophenyl)35dihydro2H15benzothiazepin4ylidene)1methyl13diazinane246trione
Clc1ccc(cc1)C1CC(=C2C(=NC(=O)N(C2=O)C)O)Nc2c(S1)cccc2
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)NC1=O
InChI=1SC20H16ClN3O3Sc12419(26)17(18(25)2320(24)27)141016(116812(21)9711)2815532413(15)2214h291622H10H21H3(H232527)b1714
MFCD07798083
ZINC000008997174
ZINC000008997175
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