Vitas-M small molecule compound
(5Z)-5-(2-chloro-4-ethoxy-5-methoxybenzylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195612
SMILES CCOc1cc(Cl)c(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
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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 C21H19ClN2O5S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5S/c1-4-29-18-11-16(22)12(10-17(18)28-3)9-15-19(25)23-21(30)24(20(15)26)13-5-7-14(27-2)8-6-13/h5-11H,4H2,1-3H3,(H,23,25,30)/b15-9-InChIKey
PDINILSEEMVMFM-DHDCSXOGSA-NSynonyms
(5Z)5((2chloro4ethoxy5methoxyphenyl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5Z)5(2CHLORO4ETHOXY5METHOXYBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C(=C1)Cl)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC)OC
CCOc1cc(Cl)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OC
InChI=1SC21H19ClN2O5Sc1429181116(22)12(1017(18)283)91519(25)2321(30)24(20(15)26)135714(272)8613h511H4H213H3(H232530)b159
MFCD04308379
ZINC000009933808
ZINC09933808
ZINC9933808
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