Vitas-M small molecule compound
5-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK096278
SMILES S=C1NC(=O)C(=Cc2cn(c3c2cccc3)CCOc2ccc(cc2)C(C)(C)C)C(=O)N1
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-25(2,3)17-8-10-18(11-9-17)31-13-12-28-15-16(19-6-4-5-7-21(19)28)14-20-22(29)26-24(32)27-23(20)30/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27,29,30,32)InChIKey
XHTWHHMERGGPPN-UHFFFAOYSA-NSynonyms
5((1(2(4TERTBUTYLPHENOXY)ETHYL)1HINDOL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5((1(2(4TERTBUTYLPHENOXY)ETHYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(2(4TERTBUTYLPHENOXY)ETHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC(C)(C)C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O
InChI=1SC25H25N3O3Sc125(23)1781018(11917)311312281516(19645721(19)28)142022(29)2624(32)2723(20)30h4111415H1213H213H3(H22627293032)
MFCD02950875
S=C1NC(=O)C(=Cc2cn(c3c2cccc3)CCOc2ccc(cc2)C(C)(C)C)C(=O)N1
STK096278
ZINC000000666046
ZINC00666046
ZINC666046
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