Vitas-M small molecule compound
N~3~-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-pyridin-2-yl-beta-alaninamide
Catalog ID
STL550489
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCC(=O)Nc1ccccn1)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 C24H24ClN3O6 MW 485.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN3O6/c1-13-10-14(26-9-7-19(30)28-18-6-4-5-8-27-18)11-17(29)24(13)23(31)20-15(32-2)12-16(33-3)21(25)22(20)34-24/h4-6,8,11-13,26H,7,9-10H2,1-3H3,(H,27,28,30)/t13-,24+/m1/s1InChIKey
FJBGJLKLUJGORW-OZAJXLCCSA-NSynonyms
127253201
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N(pyridin2yl)propanamide
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)pyridin2ylpropanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCC(=O)Nc1ccccn1)Cl
InChI=1SC24H24ClN3O6c1131014(269719(30)281864582718)1117(29)24(13)23(31)2015(322)1216(333)21(25)22(20)3424h468111326H7910H213H3(H272830)t1324+m1s1
N~3~((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)Npyridin2ylbetaalaninamide
N3((2S6R)7CHLORO46DIMETHOXY6METHYL23DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(3)EN)4YL)NPYRIDIN2YLBETAALANINAMIDE
ZINC000604404592
ZINC604404592
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