Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-4'-{[5-methoxy-2-(1H-tetrazol-1-yl)phenyl]amino}-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549995
SMILES COc1ccc(c(c1)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)n1cnnn1
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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 C24H22ClN5O6 MW 511.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O6/c1-12-7-13(27-15-9-14(33-2)5-6-16(15)30-11-26-28-29-30)8-19(31)24(12)23(32)20-17(34-3)10-18(35-4)21(25)22(20)36-24/h5-6,8-12,27H,7H2,1-4H3/t12-,24+/m1/s1InChIKey
GTICLROVYVBFQS-YYUOZPCZSA-NSynonyms
(1S6R)7chloro46dimethoxy4((5methoxy2(1Htetrazol1yl)phenyl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy3(5methoxy2(tetrazol1yl)anilino)5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy4((5methoxy2(1Htetrazol1yl)phenyl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253320
COc1ccc(c(c1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)n1cnnn1
InChI=1SC24H22ClN5O6c112713(2715914(332)5616(15)301126282930)819(31)24(12)23(32)2017(343)1018(354)21(25)22(20)3624h5681227H7H214H3t1224+m1s1
ZINC000604404821
ZINC604404821
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