Vitas-M small molecule compound
(2S,6'R)-7-chloro-9'-(2-hydroxyquinolin-3-yl)-4,6-dimethoxy-6'-methyl-4',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Catalog ID
STL549783
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc3ccccc3nc1O)n1c(N2)ncn1)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 C28H22ClN5O6 MW 559.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O6/c1-12-8-16-19(24(35)28(12)25(36)20-17(38-2)10-18(39-3)21(29)23(20)40-28)22(34-27(33-16)30-11-31-34)14-9-13-6-4-5-7-15(13)32-26(14)37/h4-7,9-12,22H,8H2,1-3H3,(H,32,37)(H,30,31,33)/t12-,22?,28+/m1/s1InChIKey
LIEVNZIQLWPJKD-HEZZUVLZSA-NSynonyms
(2~(S)6~(R))7chloro46dimethoxy6methyl9(2oxo1~(H)quinolin3yl)spiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
(2S6R)7chloro9(2hydroxyquinolin3yl)46dimethoxy6methyl4569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
135639845
InChI=1SC28H22ClN5O6c11281619(24(35)28(12)25(36)2017(382)1018(393)21(29)23(20)4028)22(3427(3316)30113134)14913645715(13)3226(14)37h4791222H8H213H3(H3237)(H303133)t1222?28+m1s1
ZINC000824567106
ZINC000824567107
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