Vitas-M small molecule compound
(2S,8'R)-7-chloro-4,6-dimethoxy-8'-methyl-5'-(thiophen-3-yl)-5',8',9',10'-tetrahydro-3H,6'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[3,4-b]quinazoline]-3,6'-dione
Catalog ID
STL550894
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccsc1)n1c(N2)nnc1)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 C23H19ClN4O5S MW 498.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O5S/c1-10-6-12-15(18(11-4-5-34-8-11)28-9-25-27-22(28)26-12)20(29)23(10)21(30)16-13(31-2)7-14(32-3)17(24)19(16)33-23/h4-5,7-10,18H,6H2,1-3H3,(H,26,27)/t10-,18?,23+/m1/s1InChIKey
HIZAVJXRUVJCMN-MOIUHZDASA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy8methyl5thiophen3ylspiro(1benzofuran2758910tetrahydro(124)triazolo(34b)quinazoline)36dione
(2S8R)7chloro46dimethoxy8methyl5(thiophen3yl)58910tetrahydro3H6Hspiro(1benzofuran27(124)triazolo(34b)quinazoline)36dione
(2S8R)7chloro46dimethoxy8methyl5(thiophen3yl)89dihydro3H5Hspiro((124)triazolo(34b)quinazoline72benzofuran)36(10H)dione
135639928
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(c1ccsc1)n1c(N2)nnc1)Cl
InChI=1SC23H19ClN4O5Sc11061215(18(114534811)289252722(28)2612)20(29)23(10)21(30)1613(312)714(323)17(24)19(16)3323h4571018H6H213H3(H2627)t1018?23+m1s1
ZINC000604406316
ZINC000604406317
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