Vitas-M small molecule compound
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188255
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(s2)Cl)/C1=O
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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 C17H13ClN2O3S2 MW 392.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O3S2/c1-2-23-11-5-3-10(4-6-11)20-16(22)13(15(21)19-17(20)24)9-12-7-8-14(18)25-12/h3-9H,2H2,1H3,(H,19,21,24)/b13-9+InChIKey
JOOVAYYQSGPSJF-UKTHLTGXSA-NSynonyms
(5E)5((5CHLOROTHIOPHEN2YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((5CHLOROTHIOPHEN2YL)METHYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)Cl)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(s2)Cl)C1=O
InChI=1SC17H13ClN2O3S2c1223115310(4611)2016(22)13(15(21)1917(20)24)9127814(18)2512h39H2H21H3(H192124)b139+
MFCD03062983
ZINC000004723881
ZINC04723881
ZINC4723881
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