Vitas-M small molecule compound
2-[(7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl)amino]-4-(2H-tetrazol-5-yl)benzoic acid
Catalog ID
STL550283
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1cc(ccc1C(=O)O)c1n[nH]nn1)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 C24H20ClN5O7 MW 525.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN5O7/c1-10-6-12(26-14-7-11(22-27-29-30-28-22)4-5-13(14)23(33)34)8-17(31)24(10)21(32)18-15(35-2)9-16(36-3)19(25)20(18)37-24/h4-5,7-10,26H,6H2,1-3H3,(H,33,34)(H,27,28,29,30)InChIKey
LEXJKZSYJZUITJ-UHFFFAOYSA-NSynonyms
132286181
2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4(1Htetrazol5yl)benzoicacid
2((7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4(2~(H)tetrazol5yl)benzoicacid
2((7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4(2Htetrazol5yl)benzoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cc(ccc1C(=O)O)c1nnn(nH)1)Cl
InChI=1SC24H20ClN5O7c110612(2614711(222729302822)4513(14)23(33)34)817(31)24(10)21(32)1815(352)916(363)19(25)20(18)3724h4571026H6H213H3(H3334)(H27282930)
MFCD31757497
ZINC000604405155
ZINC000888089860
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