Vitas-M small molecule compound
(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK023733
SMILES CCc1ccccc1N1C(=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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c1-4-17-7-5-6-8-21(17)29-25(31)20(24(30)27-26(29)34)12-18-11-15(2)28(16(18)3)19-9-10-22-23(13-19)33-14-32-22/h5-13H,4,14H2,1-3H3,(H,27,30,34)/b20-12-InChIKey
ZLCOIEQNSRYXEH-NDENLUEZSA-NSynonyms
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
InChI=1SC26H23N3O4Sc1417756821(17)2925(31)20(24(30)2726(29)34)12181115(2)28(16(18)3)199102223(1319)33143222h513H414H213H3(H273034)b2012
MFCD03228233
STK023733
ZINC000009113009
ZINC09113009
ZINC9113009
Check stock
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Check stock on Vitas-MAvailable files
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