Vitas-M small molecule compound
(5E)-1-(2-chlorophenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK121278
SMILES Oc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1Cl
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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/c22-17-5-1-2-6-18(17)25-20(28)16(19(27)23-21(25)29)12-14-4-3-11-24(14)13-7-9-15(26)10-8-13/h1-12,26H,(H,23,27,29)/b16-12+InChIKey
BRFODMILZVFBHG-FOWTUZBSSA-NSynonyms
(5E)1(2CHLOROPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(2CHLOROPHENYL)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S)Cl
InChI=1SC21H14ClN3O3Sc2217512618(17)2520(28)16(19(27)2321(25)29)1214431124(14)137915(26)10813h11226H(H232729)b1612+
MFCD07157268
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1Cl
ZINC000009805871
ZINC09805871
ZINC9805871
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