Vitas-M small molecule compound
7'-{[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STK583913
SMILES CCCCN1C(=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S
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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 C26H30N6O5S MW 538.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O5S/c1-4-5-10-32-21(34)17(20(33)28-24(32)38)14-27-16-8-9-18-15(12-16)13-26(19-7-6-11-31(18)19)22(35)29(2)25(37)30(3)23(26)36/h8-9,12,14,19,27H,4-7,10-11,13H2,1-3H3,(H,28,33,38)/b17-14+InChIKey
USHPJNJKZRYBRX-SAPNQHFASA-NSynonyms
(E)7(((1butyl2mercapto46dioxo16dihydropyrimidin5(4H)ylidene)methyl)amino)13dimethyl233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
7(((E)(1butyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
7(((E)(1butyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
CCCCN1C(=NC(=O)C(=CNc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)S
CCCCN1C(=O)C(=CNC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=S
InChI=1SC26H30N6O5Sc145103221(34)17(20(33)2824(32)38)142716891815(1216)1326(19761131(18)19)22(35)29(2)25(37)30(3)23(26)36h8912141927H47101113H213H3(H283338)b1714+
MFCD06786893
ZINC000101353329
ZINC000101353334
Check stock
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