Vitas-M small molecule compound
1-(2-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}ethyl)-3-cyclohexylurea
Catalog ID
STL551515
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCNC(=O)NC1CCCCC1)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 C25H32ClN3O6 MW 506.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32ClN3O6/c1-14-11-16(27-9-10-28-24(32)29-15-7-5-4-6-8-15)12-19(30)25(14)23(31)20-17(33-2)13-18(34-3)21(26)22(20)35-25/h12-15,27H,4-11H2,1-3H3,(H2,28,29,32)/t14-,25+/m1/s1InChIKey
BWQBVERLSFLSCN-PWECECGKSA-NSynonyms
1(2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)ethyl)3cyclohexylurea
1(2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)ethyl)3cyclohexylurea
1(2(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)ethyl)3cyclohexylurea
127252541
InChI=1SC25H32ClN3O6c1141116(279102824(32)29157546815)1219(30)25(14)23(31)2017(332)1318(343)21(26)22(20)3525h121527H411H213H3(H2282932)t1425+m1s1
ZINC000604404082
ZINC604404082
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