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]amino}-4-methoxyphenyl)carbonyl]glycine
Catalog ID
STL551452
SMILES COc1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)NCC(=O)O
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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 C26H25ClN2O9 MW 544.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O9/c1-12-7-14(29-15-8-13(5-6-16(15)35-2)25(34)28-11-20(31)32)9-19(30)26(12)24(33)21-17(36-3)10-18(37-4)22(27)23(21)38-26/h5-6,8-10,12,29H,7,11H2,1-4H3,(H,28,34)(H,31,32)/t12-,26+/m1/s1InChIKey
QDIZNYMBTLWGMG-RYZVSIALSA-NSynonyms
127253977
2((3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4methoxybenzoyl)amino)aceticacid
2(3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4methoxybenzamido)aceticacid
COc1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)NCC(=O)O
InChI=1SC26H25ClN2O9c112714(2915813(5616(15)352)25(34)281120(31)32)919(30)26(12)24(33)2117(363)1018(374)22(27)23(21)3826h568101229H711H214H3(H2834)(H3132)t1226+m1s1
N((3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4methoxyphenyl)carbonyl)glycine
ZINC000604406357
ZINC604406357
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