Vitas-M small molecule compound
7'-[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-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
STK584902
SMILES CCCCN1C(=NC(=O)/C(=C\c2ccc3c(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 C26H29N5O5S MW 523.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O5S/c1-4-5-10-31-21(33)17(20(32)27-24(31)37)13-15-8-9-18-16(12-15)14-26(19-7-6-11-30(18)19)22(34)28(2)25(36)29(3)23(26)35/h8-9,12-13,19H,4-7,10-11,14H2,1-3H3,(H,27,32,37)/b17-13+InChIKey
PMMLCZKYQBUJRT-GHRIWEEISA-NSynonyms
902330-52-3(E)7((1butyl2mercapto46dioxo16dihydropyrimidin5(4H)ylidene)methyl)13dimethyl233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
7((E)(1butyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
7((E)(1butyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
902330523
CCCCN1C(=NC(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)S
CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=S
InChI=1SC26H29N5O5Sc145103121(33)17(20(32)2724(31)37)1315891816(1215)1426(19761130(18)19)22(34)28(2)25(36)29(3)23(26)35h89121319H47101114H213H3(H273237)b1713+
MFCD06791847
ZINC000009429225
ZINC000009429227
Check stock
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