Vitas-M small molecule compound
2-{4-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-2',3,6'-trioxo-1',5',6',8',9',10'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]-2-methoxyphenoxy}acetamide
Catalog ID
STL552181
SMILES COc1cc(ccc1OCC(=O)N)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)Nc2c1c(O)nc(=O)n2C
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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 C31H29ClN4O10 MW 653.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O10/c1-12-8-14-21(26(38)31(12)27(39)22-17(43-4)10-18(44-5)24(32)25(22)46-31)20(23-28(34-14)36(2)30(41)35-29(23)40)13-6-7-15(16(9-13)42-3)45-11-19(33)37/h6-7,9-10,12,20,34H,8,11H2,1-5H3,(H2,33,37)(H,35,40,41)/t12-,20?,31+/m1/s1InChIKey
CJBYMKFNUXLPOQ-IFIJKEPYSA-NSynonyms
132352329
2(4((2~(S)8~(R))7chloro46dimethoxy18dimethyl2346tetraoxospiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)5yl)2methoxyphenoxy)acetamide
2(4((2S8R)7chloro4hydroxy46dimethoxy18dimethyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)2methoxyphenoxy)acetamide
InChI=1SC31H29ClN4O10c11281421(26(38)31(12)27(39)2217(434)1018(445)24(32)25(22)4631)20(2328(3414)36(2)30(41)3529(23)40)136715(16(913)423)451119(33)37h67910122034H811H215H3(H23337)(H354041)t1220?31+m1s1
ZINC000824609062
ZINC000824609065
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