Vitas-M small molecule compound
7-chloro-4'-[(11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)amino]-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550012
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccc2c(c1)C(=O)N1CCCC1C(=N2)O)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 C28H26ClN3O7 MW 551.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O7/c1-13-9-15(30-14-6-7-17-16(10-14)27(36)32-8-4-5-18(32)26(35)31-17)11-21(33)28(13)25(34)22-19(37-2)12-20(38-3)23(29)24(22)39-28/h6-7,10-13,18,30H,4-5,8-9H2,1-3H3,(H,31,35)InChIKey
WXPHCVGGJLMCEI-UHFFFAOYSA-NSynonyms
132286320
2((7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepine611dione
7chloro4((11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
InChI=1SC28H26ClN3O7c113915(3014671716(1014)27(36)3284518(32)26(35)3117)1121(33)28(13)25(34)2219(372)1220(383)23(29)24(22)3928h6710131830H4589H213H3(H3135)
MFCD31757345
ZINC000888090028
ZINC000888090031
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