Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-5'-(4-nitrophenyl)-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
STL551049
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(cc1)[N+](=O)[O-])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 C29H25ClN4O9 MW 608.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O9/c1-12-10-15-19(24(35)29(12)25(36)20-16(41-4)11-17(42-5)22(30)23(20)43-29)18(13-6-8-14(9-7-13)34(39)40)21-26(31-15)32(2)28(38)33(3)27(21)37/h6-9,11-12,18,37H,10H2,1-5H3/t12-,18?,29+/m1/s1InChIKey
BWGACSNWKJFOJB-MMLLSBTESA-NSynonyms
(2S8R)7chloro4hydroxy46dimethoxy138trimethyl5(4nitrophenyl)3589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
InChI=1SC29H25ClN4O9c112101519(24(35)29(12)25(36)2016(414)1117(425)22(30)23(20)4329)18(136814(9713)34(39)40)2126(3115)32(2)28(38)33(3)27(21)37h6911121837H10H215H3t1218?29+m1s1
ZINC001772492924
ZINC001772492925
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