Vitas-M small molecule compound
methyl 6-({(Z)-[(2R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3,4'-trioxo-3H,3'H-spiro[1-benzofuran-2,1'-cyclohexan]-3'-ylidene]methyl}amino)-4-oxo-4H-chromene-2-carboxylate
Catalog ID
STL549283
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C/Nc2ccc3c(c2)c(=O)cc(o3)C(=O)OC)/C1=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 C28H22ClNO10 MW 567.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClNO10/c1-12-7-16(31)15(11-30-13-5-6-18-14(8-13)17(32)9-21(39-18)27(35)38-4)25(33)28(12)26(34)22-19(36-2)10-20(37-3)23(29)24(22)40-28/h5-6,8-12,30H,7H2,1-4H3/b15-11-/t12-,28+/m1/s1InChIKey
AAIBKYSAZNZRGU-HRKCMVCUSA-NSynonyms
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNc2ccc3c(c2)c(=O)cc(o3)C(=O)OC)C1=O)Cl
InChI=1SC28H22ClNO10c112716(31)15(113013561814(813)17(32)921(3918)27(35)384)25(33)28(12)26(34)2219(362)1020(373)23(29)24(22)4028h5681230H7H214H3b1511t1228+m1s1
methyl6(((Z)((1R2R)7chloro46dimethoxy2methyl346trioxo3Hspiro(benzofuran21cyclohexan)5ylidene)methyl)amino)4oxo4Hchromene2carboxylate
methyl6(((Z)((2R6R)7chloro46dimethoxy6methyl234trioxo3H3Hspiro(1benzofuran21cyclohexan)3ylidene)methyl)amino)4oxo4Hchromene2carboxylate
ZINC000824566630
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