Vitas-M small molecule compound
N-[3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]propanamide
Catalog ID
STK588374
SMILES CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccc3c(c2)OCO3)C(=NC(=NC1=O)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 C26H27N5O6 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O6/c1-2-22(32)27-17-4-5-18-16(10-17)11-26(23(33)28-25(35)29-24(26)34)21-13-30(7-8-31(18)21)12-15-3-6-19-20(9-15)37-14-36-19/h3-6,9-10,21H,2,7-8,11-14H2,1H3,(H,27,32)(H2,28,29,33,34,35)InChIKey
CRLPJMFLPBWYCX-UHFFFAOYSA-NSynonyms
879461-15-1879461151
CCC(=O)NC1=CC2=C(C=C1)N3CCN(CC3C4(C2)C(=O)NC(=O)NC4=O)CC5=CC6=C(C=C5)OCO6
InChI=1SC26H27N5O6c1222(32)2717451816(1017)1126(23(33)2825(35)2924(26)34)211330(7831(18)21)1215361920(915)37143619h3691021H2781114H21H3(H2732)(H22829333435)
MFCD07209881
N(3(13benzodioxol5ylmethyl)246trioxospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)8yl)propanamide
N(3(13benzodioxol5ylmethyl)26dihydroxy4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)propanamide
ZINC000018117678
ZINC000018190465
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