Vitas-M small molecule compound
(2S,8'R)-7-chloro-5'-(4-chloro-3-nitrophenyl)-4'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-3',5',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL549706
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(c(c1)[N+](=O)[O-])Cl)c1c(=N2)n(C)c(=O)n(c1O)C)Cl
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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 C29H24Cl2N4O9 MW 643.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Cl2N4O9/c1-11-8-14-19(24(36)29(11)25(37)20-16(42-4)10-17(43-5)22(31)23(20)44-29)18(12-6-7-13(30)15(9-12)35(40)41)21-26(32-14)33(2)28(39)34(3)27(21)38/h6-7,9-11,18,38H,8H2,1-5H3/t11-,18?,29+/m1/s1InChIKey
GLPZBOYQAAZFCE-JVHMWFGESA-NSynonyms
(2S8R)7chloro5(4chloro3nitrophenyl)4hydroxy46dimethoxy138trimethyl3589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
InChI=1SC29H24Cl2N4O9c11181419(24(36)29(11)25(37)2016(424)1017(435)22(31)23(20)4429)18(126713(30)15(912)35(40)41)2126(3214)33(2)28(39)34(3)27(21)38h679111838H8H215H3t1118?29+m1s1
ZINC001772492843
ZINC001772492844
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