Vitas-M small molecule compound
(5E)-1-(3-chlorophenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK136531
SMILES Oc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)Cl
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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 C21H14ClN3O3S MW 423.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O3S/c22-13-3-1-4-16(11-13)25-20(28)18(19(27)23-21(25)29)12-15-5-2-10-24(15)14-6-8-17(26)9-7-14/h1-12,26H,(H,23,27,29)/b18-12+InChIKey
HJZUYCAGNUBLDN-LDADJPATSA-NSynonyms
(5E)1(3CHLOROPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3chlorophenyl)5((1(4hydroxyphenyl)pyrrol2yl)methylidene)2sulfanylidene13diazinane46dione
C1=CC(=CC(=C1)Cl)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S
InChI=1SC21H14ClN3O3Sc221331416(1113)2520(28)18(19(27)2321(25)29)1215521024(15)146817(26)9714h11226H(H232729)b1812+
MFCD08671201
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Cl
ZINC000009851258
ZINC09851258
ZINC9851258
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