Vitas-M small molecule compound
3-ethyl-8-({(Z)-[4-hydroxy-2,6-dioxo-1-(propan-2-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK588822
SMILES CCN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=NC(=O)N(C2=O)C(C)C)O)C(=O)N(C)C(=O)N(C1=O)C
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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 C27H33N7O6 MW 551.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N7O6/c1-6-32-9-10-33-19-8-7-17(28-13-18-21(35)29-25(39)34(15(2)3)22(18)36)11-16(19)12-27(20(33)14-32)23(37)30(4)26(40)31(5)24(27)38/h7-8,11,13,15,20,28H,6,9-10,12,14H2,1-5H3,(H,29,35,39)/b18-13-InChIKey
MMPCPWSTMDGFJB-AQTBWJFISA-NSynonyms
3ethyl13dimethyl8(((Z)(246trioxo1propan2yl13diazinan5ylidene)methyl)amino)spiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
3ethyl8(((Z)(4hydroxy26dioxo1(propan2yl)16dihydropyrimidin5(2H)ylidene)methyl)amino)13dimethyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)24
CCN1CCN2C(C1)C1(Cc3c2ccc(c3)NC=C2C(=NC(=O)N(C2=O)C(C)C)O)C(=O)N(C)C(=O)N(C1=O)C
CCN1CCN2C(C1)C3(CC4=C2C=CC(=C4)NC=C5C(=O)NC(=O)N(C5=O)C(C)C)C(=O)N(C(=O)N(C3=O)C)C
InChI=1SC27H33N7O6c163291033198717(28131821(35)2925(39)34(15(2)3)22(18)36)1116(19)1227(20(33)1432)23(37)30(4)26(40)31(5)24(27)38h781113152028H69101214H215H3(H293539)b1813
MFCD07208705
ZINC000097968168
ZINC000245326861
Check stock
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Check stock on Vitas-MAvailable files
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