Vitas-M small molecule compound
N-[(2-chloro-5-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}phenyl)carbonyl]-beta-alanine
Catalog ID
STL551118
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(c(c1)C(=O)NCCC(=O)O)Cl)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 C26H24Cl2N2O8 MW 563.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24Cl2N2O8/c1-12-8-14(30-13-4-5-16(27)15(9-13)25(35)29-7-6-20(32)33)10-19(31)26(12)24(34)21-17(36-2)11-18(37-3)22(28)23(21)38-26/h4-5,9-12,30H,6-8H2,1-3H3,(H,29,35)(H,32,33)/t12-,26+/m1/s1InChIKey
JMSXEIWOYNHTMC-RYZVSIALSA-NSynonyms
127252683
3((2chloro5(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)benzoyl)amino)propanoicacid
3(2chloro5(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)benzamido)propanoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(c(c1)C(=O)NCCC(=O)O)Cl)Cl
InChI=1SC26H24Cl2N2O8c112814(30134516(27)15(913)25(35)297620(32)33)1019(31)26(12)24(34)2117(362)1118(373)22(28)23(21)3826h4591230H68H213H3(H2935)(H3233)t1226+m1s1
N((2chloro5(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)phenyl)carbonyl)betaalanine
ZINC000604404722
ZINC604404722
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