Vitas-M small molecule compound
5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372540
SMILES CCN1C(=O)C(=Cc2cn(c3c2cccc3)CC(=O)N2CCCCCC2)C(=O)N(C1=S)CC
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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 C25H30N4O3S MW 466.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3S/c1-3-28-23(31)20(24(32)29(4-2)25(28)33)15-18-16-27(21-12-8-7-11-19(18)21)17-22(30)26-13-9-5-6-10-14-26/h7-8,11-12,15-16H,3-6,9-10,13-14,17H2,1-2H3InChIKey
IMXMTLDYLSUMCB-UHFFFAOYSA-NSynonyms
5((1(2(azepan1yl)2oxoethyl)1Hindol3yl)methylidene)13diethyl2thioxodihydropyrimidine46(1H5H)dione
5((1(2(azepan1yl)2oxoethyl)indol3yl)methylidene)13diethyl2sulfanylidene13diazinane46dione
CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4)C(=O)N(C1=S)CC
InChI=1SC25H30N4O3Sc132823(31)20(24(32)29(42)25(28)33)15181627(2112871119(18)21)1722(30)2613956101426h7811121516H36910131417H212H3
MFCD04236120
ZINC000096234414
ZINC96234414
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