Vitas-M small molecule compound
ethyl {5-[3-({(Z)-[(2R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3,4'-trioxo-3H,3'H-spiro[1-benzofuran-2,1'-cyclohexan]-3'-ylidene]methyl}amino)phenyl]-2H-tetrazol-2-yl}acetate
Catalog ID
STL550466
SMILES CCOC(=O)Cn1nnc(n1)c1cccc(c1)N/C=C\1/C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
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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 C28H26ClN5O8 MW 596.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5O8/c1-5-41-21(36)13-34-32-27(31-33-34)15-7-6-8-16(10-15)30-12-17-18(35)9-14(2)28(25(17)37)26(38)22-19(39-3)11-20(40-4)23(29)24(22)42-28/h6-8,10-12,14,30H,5,9,13H2,1-4H3/b17-12-/t14-,28+/m1/s1InChIKey
INQDUDLHQXVZQF-HSZIBBRFSA-NSynonyms
CCOC(=O)Cn1nnc(n1)c1cccc(c1)NC=C1C(=O)C(C@H)((C@@)2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
ethyl(5(3(((Z)((2R6R)7chloro46dimethoxy6methyl234trioxo3H3Hspiro(1benzofuran21cyclohexan)3ylidene)methyl)amino)phenyl)2Htetrazol2yl)acetate
ethyl2(5(3(((Z)((1R2R)7chloro46dimethoxy2methyl346trioxo3Hspiro(benzofuran21cyclohexan)5ylidene)methyl)amino)phenyl)2Htetrazol2yl)acetate
InChI=1SC28H26ClN5O8c154121(36)13343227(313334)1576816(1015)30121718(35)914(2)28(25(17)37)26(38)2219(393)1120(404)23(29)24(22)4228h6810121430H5913H214H3b1712t1428+m1s1
ZINC000823241512
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