Vitas-M small molecule compound
[5-(4-{[(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]acetic acid
Catalog ID
STL550439
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(cc1)c1nnn(n1)CC(=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 C25H22ClN5O7 MW 539.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O7/c1-12-8-15(27-14-6-4-13(5-7-14)24-28-30-31(29-24)11-19(33)34)9-18(32)25(12)23(35)20-16(36-2)10-17(37-3)21(26)22(20)38-25/h4-7,9-10,12,27H,8,11H2,1-3H3,(H,33,34)/t12-,25+/m1/s1InChIKey
QDHRGSAEVAABFD-YDBLSZJJSA-NSynonyms
(5(4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)phenyl)2Htetrazol2yl)aceticacid
127253291
2(5(4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)phenyl)2Htetrazol2yl)aceticacid
2(5(4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)phenyl)tetrazol2yl)aceticacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)c1nnn(n1)CC(=O)O)Cl
InChI=1SC25H22ClN5O7c112815(27146413(5714)24283031(2924)1119(33)34)918(32)25(12)23(35)2016(362)1017(373)21(26)22(20)3825h479101227H811H213H3(H3334)t1225+m1s1
ZINC000604405553
ZINC604405553
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