Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-3'-({[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfanyl)propyl]amino}methylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL552297
SMILES CSCCC(c1onc(n1)C1CC1)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 C26H28ClN3O7S MW 562.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN3O7S/c1-12-9-16(31)14(11-28-15(7-8-38-4)25-29-24(30-37-25)13-5-6-13)22(32)26(12)23(33)19-17(34-2)10-18(35-3)20(27)21(19)36-26/h10-13,15,28H,5-9H2,1-4H3/b14-11+/t12-,15?,26+/m1/s1InChIKey
OXABEHINMGPMGX-VQLFFUEYSA-NSynonyms
(1R6RE)7chloro3(((1(3cyclopropyl124oxadiazol5yl)3(methylthio)propyl)amino)methylene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro3(((1(3cyclopropyl124oxadiazol5yl)3(methylsulfanyl)propyl)amino)methylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
CSCCC(c1onc(n1)C1CC1)NC=C1C(=O)C(C@H)((C@@)2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
InChI=1SC26H28ClN3O7Sc112916(31)14(112815(78384)252924(303725)135613)22(32)26(12)23(33)1917(342)1018(353)20(27)21(19)3626h10131528H59H214H3b1411+t1215?26+m1s1
ZINC001547139372
ZINC001547139373
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