Vitas-M small molecule compound
(5E)-5-[(1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190070
SMILES Clc1ccc(c(c1)Cl)COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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 C25H21Cl2N3O3S MW 514.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O3S/c1-14-10-17(11-21-23(31)28-25(34)29(3)24(21)32)15(2)30(14)19-6-8-20(9-7-19)33-13-16-4-5-18(26)12-22(16)27/h4-12H,13H2,1-3H3,(H,28,31,34)/b21-11+InChIKey
SLNUFYKLIHTWJD-SRZZPIQSSA-NSynonyms
(5E)5((1(4((24DICHLOROBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4((24dichlorophenyl)methoxy)phenyl)25dimethylpyrrol3yl)methylidene)1methyl2sulfanylidene13diazinane46dione
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)C)C=C4C(=O)NC(=S)N(C4=O)C
Clc1ccc(c(c1)Cl)COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC25H21Cl2N3O3Sc1141017(112123(31)2825(34)29(3)24(21)32)15(2)30(14)196820(9719)3313164518(26)1222(16)27h412H13H213H3(H283134)b2111+
MFCD03228498
ZINC000009311654
ZINC09311654
ZINC9311654
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