Vitas-M small molecule compound
(5E)-1-(2,4-dichlorophenyl)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197671
SMILES Ic1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1Cl)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 C23H16Cl2IN3O2S MW 596.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2IN3O2S/c1-12-9-14(13(2)28(12)17-6-4-16(26)5-7-17)10-18-21(30)27-23(32)29(22(18)31)20-8-3-15(24)11-19(20)25/h3-11H,1-2H3,(H,27,30,32)/b18-10+InChIKey
KDALHQUGRZAGJO-VCHYOVAHSA-NSynonyms
(5E)1(24DICHLOROPHENYL)5((1(4IODOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(24DICHLOROPHENYL)5((1(4IODOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Cl)Cl
Ic1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1Cl)Cl
InChI=1SC23H16Cl2IN3O2Sc112914(13(2)28(12)176416(26)5717)101821(30)2723(32)29(22(18)31)208315(24)1119(20)25h311H12H3(H273032)b1810+
MFCD01470907
ZINC000100115290
ZINC100115290
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