Vitas-M small molecule compound

8-({(Z)-[4,6-dioxo-1-(propan-2-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-2'-hydroxy-3-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione

Catalog ID
STL492786
SMILES CN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=O)N=C(N(C2=O)C(C)C)S)C(=O)NC(=NC1=O)O

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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 C24H27N7O5S MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N7O5S/c1-12(2)31-19(33)15(18(32)26-23(31)37)10-25-14-4-5-16-13(8-14)9-24(17-11-29(3)6-7-30(16)17)20(34)27-22(36)28-21(24)35/h4-5,8,10,12,17,25H,6-7,9,11H2,1-3H3,(H,26,32,37)(H2,27,28,34,35,36)/b15-10-
InChIKey
CCABLJOYUQGDHV-GDNBJRDFSA-N
Synonyms

8(((Z)(46dioxo1(propan2yl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)2hydroxy3methyl2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1
8(((Z)(46dioxo1propan2yl2sulfanylidene13diazinan5ylidene)methyl)amino)3methylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CC(C)N1C(=O)C(=CNC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)NC(=O)NC5=O)C)C(=O)NC1=S
CN1CCN2C(C1)C1(Cc3c2ccc(c3)NC=C2C(=O)N=C(N(C2=O)C(C)C)S)C(=O)NC(=NC1=O)O
InChI=1SC24H27N7O5Sc112(2)3119(33)15(18(32)2623(31)37)102514451613(814)924(171129(3)6730(16)17)20(34)2722(36)2821(24)35h45810121725H67911H213H3(H263237)(H22728343536)b1510
MFCD30715358
ZINC000018158775

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Available files

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