Vitas-M small molecule compound
(5E)-1-(3,4-dimethylphenyl)-5-(3-iodo-4-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK198266
SMILES COc1ccc(cc1I)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C
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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 C20H17IN2O3S MW 492.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN2O3S/c1-11-4-6-14(8-12(11)2)23-19(25)15(18(24)22-20(23)27)9-13-5-7-17(26-3)16(21)10-13/h4-10H,1-3H3,(H,22,24,27)/b15-9+InChIKey
HNENOPHBWBKGFO-OQLLNIDSSA-NSynonyms
(5E)1(34DIMETHYLPHENYL)5((3IODO4METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(34DIMETHYLPHENYL)5(3IODO4METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)I)C(=O)NC2=S)C
COc1ccc(cc1I)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC20H17IN2O3Sc1114614(812(11)2)2319(25)15(18(24)2220(23)27)9135717(263)16(21)1013h410H13H3(H222427)b159+
MFCD01053113
ZINC000009322216
ZINC09322216
ZINC9322216
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