Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1'-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8'-methyl-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL552113
SMILES COc1ccc2c(c1)c(c[nH]2)CCn1c(=O)nc(c2c1nc1C[C@@H](C)[C@@]3(C(=O)c1c2)Oc1c(C3=O)c(OC)cc(c1Cl)OC)O
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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 C32H27ClN4O8 MW 631.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN4O8/c1-14-9-21-18(27(38)32(14)28(39)24-22(43-3)12-23(44-4)25(33)26(24)45-32)11-19-29(35-21)37(31(41)36-30(19)40)8-7-15-13-34-20-6-5-16(42-2)10-17(15)20/h5-6,10-14,34H,7-9H2,1-4H3,(H,36,40,41)/t14-,32+/m1/s1InChIKey
CLPIVHYPXZRGGU-ZZQWGBOMSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy1(2(5methoxy1~(H)indol3yl)ethyl)8methylspiro(1benzofuran2789dihydropyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy1(2(5methoxy1Hindol3yl)ethyl)8methyl89dihydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352397
InChI=1SC32H27ClN4O8c11492118(27(38)32(14)28(39)2422(433)1223(444)25(33)26(24)4532)111929(3521)37(31(41)3630(19)40)87151334206516(422)1017(15)20h56101434H79H214H3(H364041)t1432+m1s1
ZINC000824758427
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