Vitas-M small molecule compound
methyl 4-({N-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]glycyl}amino)benzoate
Catalog ID
STL550479
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCC(=O)Nc1ccc(cc1)C(=O)OC)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 C26H25ClN2O8 MW 528.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O8/c1-13-9-16(28-12-20(31)29-15-7-5-14(6-8-15)25(33)36-4)10-19(30)26(13)24(32)21-17(34-2)11-18(35-3)22(27)23(21)37-26/h5-8,10-11,13,28H,9,12H2,1-4H3,(H,29,31)/t13-,26+/m1/s1InChIKey
VPIFTXAITAYAPP-SRGMZFCMSA-NSynonyms
127253185
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCC(=O)Nc1ccc(cc1)C(=O)OC)Cl
InChI=1SC26H25ClN2O8c113916(281220(31)29157514(6815)25(33)364)1019(30)26(13)24(32)2117(342)1118(353)22(27)23(21)3726h5810111328H912H214H3(H2931)t1326+m1s1
methyl4((2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)acetyl)amino)benzoate
methyl4((N((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)glycyl)amino)benzoate
methyl4(2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)acetamido)benzoate
ZINC000604405977
ZINC604405977
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