Vitas-M small molecule compound
2-[5-(2-{[(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}phenyl)-2H-tetrazol-2-yl]acetamide
Catalog ID
STL551593
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccccc1c1nnn(n1)CC(=O)N)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 C25H23ClN6O6 MW 538.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O6/c1-12-8-13(28-15-7-5-4-6-14(15)24-29-31-32(30-24)11-19(27)34)9-18(33)25(12)23(35)20-16(36-2)10-17(37-3)21(26)22(20)38-25/h4-7,9-10,12,28H,8,11H2,1-3H3,(H2,27,34)/t12-,25+/m1/s1InChIKey
GDWSQYLIIUKSGM-YDBLSZJJSA-NSynonyms
127252707
2(5(2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)phenyl)2Htetrazol2yl)acetamide
2(5(2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)phenyl)tetrazol2yl)acetamide
2(5(2(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)phenyl)2Htetrazol2yl)acetamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccccc1c1nnn(n1)CC(=O)N)Cl
InChI=1SC25H23ClN6O6c112813(2815754614(15)24293132(3024)1119(27)34)918(33)25(12)23(35)2016(362)1017(373)21(26)22(20)3825h479101228H811H213H3(H22734)t1225+m1s1
ZINC000604404389
ZINC604404389
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