Vitas-M small molecule compound
(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196855
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/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 C25H21N3O5S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5S/c1-14-10-16(15(2)27(14)18-6-9-21-22(12-18)33-13-32-21)11-20-23(29)26-25(34)28(24(20)30)17-4-7-19(31-3)8-5-17/h4-12H,13H2,1-3H3,(H,26,29,34)/b20-11-InChIKey
VJNQTNVBIUSCKH-JAIQZWGSSA-NSynonyms
433693-69-7(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
433693697
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
InChI=1SC25H21N3O5Sc1141016(15(2)27(14)18692122(1218)33133221)112023(29)2625(34)28(24(20)30)174719(313)8517h412H13H213H3(H262934)b2011
MFCD03228202
ZINC000002177214
ZINC02177214
ZINC2177214
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.