Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-[2-(1H-imidazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL579290
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cncc1
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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 C33H36ClN3O10 MW 670.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36ClN3O10/c1-17-11-20(38)26(31(40)33(17)32(41)27-21(42-2)15-22(43-3)28(34)30(27)47-33)19(14-25(39)36-8-10-37-9-7-35-16-37)18-12-23(44-4)29(46-6)24(13-18)45-5/h7,9,12-13,15-17,19,40H,8,10-11,14H2,1-6H3,(H,36,39)/t17-,19?,33+/m1/s1InChIKey
KDTFXGFCVLIJPR-IWXNAYNVSA-NSynonyms
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(1Himidazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cncc1
InChI=1SC33H36ClN3O10c1171120(38)26(31(40)33(17)32(41)2721(422)1522(433)28(34)30(27)4733)19(1425(39)368103797351637)181223(444)29(466)24(1318)455h79121315171940H8101114H216H3(H3639)t1719?33+m1s1
MFCD33397618
N(2(1Himidazol1yl)ethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
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