Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[3-(pyrrolidin-1-ylmethyl)phenyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550701
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cccc(c1)CN1CCCC1)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 C27H29ClN2O5 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O5/c1-16-11-19(29-18-8-6-7-17(12-18)15-30-9-4-5-10-30)13-22(31)27(16)26(32)23-20(33-2)14-21(34-3)24(28)25(23)35-27/h6-8,12-14,16,29H,4-5,9-11,15H2,1-3H3/t16-,27+/m1/s1InChIKey
QMBOGQGIBHXPPI-JWIGPWBQSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((3(pyrrolidin1ylmethyl)phenyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(3(pyrrolidin1ylmethyl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((3(pyrrolidin1ylmethyl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125430570
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cccc(c1)CN1CCCC1)Cl
InChI=1SC27H29ClN2O5c1161119(291886717(1218)15309451030)1322(31)27(16)26(32)2320(332)1421(343)24(28)25(23)3527h6812141629H4591115H213H3t1627+m1s1
ZINC000524731957
ZINC524731957
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