Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-3'-{1-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)amino]ethylidene}-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL579802
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NC2CCc3c(N=C2O)cccc3)/C)/C1=O)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 C28H27ClN2O7 MW 538.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O7/c1-13-11-18(32)21(14(2)30-17-10-9-15-7-5-6-8-16(15)31-27(17)35)25(33)28(13)26(34)22-19(36-3)12-20(37-4)23(29)24(22)38-28/h5-8,12-13,17,30H,9-11H2,1-4H3,(H,31,35)/b21-14+/t13-,17?,28+/m1/s1InChIKey
IIXHATQLMCEMJM-BOQSYGMZSA-NSynonyms
(2R3E6R)7chloro3(1((2hydroxy45dihydro3H1benzazepin3yl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
InChI=1SC28H27ClN2O7c1131118(32)21(14(2)301710915756816(15)3127(17)35)25(33)28(13)26(34)2219(363)1220(374)23(29)24(22)3828h5812131730H911H214H3(H3135)b2114+t1317?28+m1s1
MFCD33398130
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