Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-{[2-(2H-tetrazol-5-ylmethyl)phenyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550525
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccccc1Cc1n[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 C24H22ClN5O5 MW 495.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O5/c1-12-8-14(26-15-7-5-4-6-13(15)9-19-27-29-30-28-19)10-18(31)24(12)23(32)20-16(33-2)11-17(34-3)21(25)22(20)35-24/h4-7,10-12,26H,8-9H2,1-3H3,(H,27,28,29,30)InChIKey
AVWBNNXWVHPBGU-UHFFFAOYSA-NSynonyms
(1S6R)4((2((1Htetrazol5yl)methyl)phenyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286292
7chloro46dimethoxy5methyl3(2(2~(H)tetrazol5ylmethyl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((2(2Htetrazol5ylmethyl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccccc1Cc1nnn(nH)1)Cl
InChI=1SC24H22ClN5O5c112814(2615754613(15)9192729302819)1018(31)24(12)23(32)2016(332)1117(343)21(25)22(20)3524h47101226H89H213H3(H27282930)
MFCD31757632
ZINC000604404274
ZINC000888089716
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