Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-5'-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-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
STL552155
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc(OC)c3c(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 C31H28ClN3O10 MW 638.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O10/c1-12-8-14-20(26(36)31(12)27(37)21-15(40-3)11-16(41-4)23(32)25(21)45-31)19(22-28(33-14)35(2)30(39)34-29(22)38)13-9-17(42-5)24-18(10-13)43-6-7-44-24/h9-12,19,33H,6-8H2,1-5H3,(H,34,38,39)/t12-,19?,31+/m1/s1InChIKey
TWGGQLMXUZYDRZ-GWMAXJSGSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy5(5methoxy23dihydro14benzodioxin7yl)18dimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy5(8methoxy23dihydro14benzodioxin6yl)18dimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132351874
InChI=1SC31H28ClN3O10c11281420(26(36)31(12)27(37)2115(403)1116(414)23(32)25(21)4531)19(2228(3314)35(2)30(39)3429(22)38)13917(425)2418(1013)43674424h9121933H68H215H3(H343839)t1219?31+m1s1
ZINC000824567475
ZINC000824567476
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