Vitas-M small molecule compound
(5Z)-1-(2,5-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL052935
SMILES COc1ccc(c(c1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C)C)/C1=O)S)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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-15-6-8-19(9-7-15)28-16(2)12-18(17(28)3)13-21-24(30)27-26(34)29(25(21)31)22-14-20(32-4)10-11-23(22)33-5/h6-14H,1-5H3,(H,27,30,34)/b21-13-InChIKey
KUMZZQHEKMYZEP-BKUYFWCQSA-NSynonyms
573933-78-5(5Z)1(25dimethoxyphenyl)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(25DIMETHOXYPHENYL)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
573933785
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=CC(=C4)OC)OC)C
COc1ccc(c(c1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)S)OC
InChI=1SC26H25N3O4Sc1156819(9715)2816(2)1218(17(28)3)132124(30)2726(34)29(25(21)31)221420(324)101123(22)335h614H15H3(H273034)b2113
MFCD05737765
ZINC000002195611
ZINC2195611
Check stock
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Check stock on Vitas-MAvailable files
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