Vitas-M small molecule compound
(5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195645
SMILES COc1ccccc1N1C(=S)NC(=O)/C(=C\c2ccc(o2)Sc2ccc(cc2)Cl)/C1=O
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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 C22H15ClN2O4S2 MW 470.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4S2/c1-28-18-5-3-2-4-17(18)25-21(27)16(20(26)24-22(25)30)12-14-8-11-19(29-14)31-15-9-6-13(23)7-10-15/h2-12H,1H3,(H,24,26,30)/b16-12+InChIKey
TWLUTQMZRBJCEV-FOWTUZBSSA-NSynonyms
(5E)5((5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1(2METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)SC4=CC=C(C=C4)Cl)C(=O)NC2=S
COc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc(o2)Sc2ccc(cc2)Cl)C1=O
InChI=1SC22H15ClN2O4S2c12818532417(18)2521(27)16(20(26)2422(25)30)121481119(2914)31159613(23)71015h212H1H3(H242630)b1612+
MFCD04318093
ZINC000009933816
ZINC09933816
ZINC9933816
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