Vitas-M small molecule compound
4-[5-(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-hydroxyphenyl)-2H-tetrazol-2-yl]butanoic acid
Catalog ID
STL550178
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cc(ccc1O)c1nnn(n1)CCCC(=O)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 C27H26ClN5O8 MW 583.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O8/c1-13-9-15(11-20(35)27(13)25(38)22-18(39-2)12-19(40-3)23(28)24(22)41-27)29-16-10-14(6-7-17(16)34)26-30-32-33(31-26)8-4-5-21(36)37/h6-7,10-13,29,34H,4-5,8-9H2,1-3H3,(H,36,37)/t13-,27+/m1/s1InChIKey
NBJJEWPEWUYUQM-QWVSSGJLSA-NSynonyms
135639887
4(5(3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4hydroxyphenyl)2Htetrazol2yl)butanoicacid
4(5(3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4hydroxyphenyl)tetrazol2yl)butanoicacid
4(5(3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4hydroxyphenyl)2Htetrazol2yl)butanoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cc(ccc1O)c1nnn(n1)CCCC(=O)O)Cl
InChI=1SC27H26ClN5O8c113915(1120(35)27(13)25(38)2218(392)1219(403)23(28)24(22)4127)29161014(6717(16)34)26303233(3126)84521(36)37h6710132934H4589H213H3(H3637)t1327+m1s1
ZINC000604404977
ZINC604404977
Check stock
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Check stock on Vitas-MAvailable files
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