Vitas-M small molecule compound
[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]acetic acid
Catalog ID
STL549831
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cc(ccc1O)c1nnn(n1)CC(=O)O)Cl
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C25H22ClN5O8 MW 555.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O8/c1-11-6-13(27-14-7-12(4-5-15(14)32)24-28-30-31(29-24)10-19(34)35)8-18(33)25(11)23(36)20-16(37-2)9-17(38-3)21(26)22(20)39-25/h4-5,7-9,11,27,32H,6,10H2,1-3H3,(H,34,35)/t11-,25+/m1/s1InChIKey
JXYAZFXPIZBWSD-NDHGSNPTSA-NSynonyms
(5(3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4hydroxyphenyl)2Htetrazol2yl)aceticacid
135639850
2(5(3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4hydroxyphenyl)2Htetrazol2yl)aceticacid
2(5(3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4hydroxyphenyl)tetrazol2yl)aceticacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cc(ccc1O)c1nnn(n1)CC(=O)O)Cl
InChI=1SC25H22ClN5O8c111613(2714712(4515(14)32)24283031(2924)1019(34)35)818(33)25(11)23(36)2016(372)917(383)21(26)22(20)3925h4579112732H610H213H3(H3435)t1125+m1s1
ZINC000604404126
ZINC604404126
Check stock
See real-time availability and sample size for STL549831 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.