Vitas-M small molecule compound
(2S,8'R)-7-chloro-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL552296
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc3c(c1)OCCO3)c1c(N2)n(C)c(=O)nc1O)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 C30H26ClN3O9 MW 608.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O9/c1-12-9-14-20(25(35)30(12)26(36)21-17(39-3)11-18(40-4)23(31)24(21)43-30)19(13-5-6-15-16(10-13)42-8-7-41-15)22-27(32-14)34(2)29(38)33-28(22)37/h5-6,10-12,19,32H,7-9H2,1-4H3,(H,33,37,38)/t12-,19?,30+/m1/s1InChIKey
MQZJRFGNSNDWDT-YJRUYWAISA-NSynonyms
(2~(S)8~(R))7chloro5(23dihydro14benzodioxin6yl)46dimethoxy18dimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro5(23dihydro14benzodioxin6yl)4hydroxy46dimethoxy18dimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352002
InChI=1SC30H26ClN3O9c11291420(25(35)30(12)26(36)2117(393)1118(404)23(31)24(21)4330)19(13561516(1013)42874115)2227(3214)34(2)29(38)3328(22)37h5610121932H79H214H3(H333738)t1219?30+m1s1
ZINC000824567116
ZINC000824567117
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