Vitas-M small molecule compound
methyl 3-(5-amino-9-hydroxy-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)-4-methoxybenzoate
Catalog ID
STL312060
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1C(=C(S2)N)C(=O)Oc2c1ccc(c2)O)C(=O)OC
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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 C23H18N2O8S MW 482.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O8S/c1-31-13-6-3-9(22(29)32-2)7-12(13)25-20(27)16-15-11-5-4-10(26)8-14(11)33-23(30)17(15)19(24)34-18(16)21(25)28/h3-8,15-16,18,26H,24H2,1-2H3InChIKey
QNECBBMBNLEURK-UHFFFAOYSA-NSynonyms
1401593-08-51401593085
COC1=C(C=C(C=C1)C(=O)OC)N2C(=O)C3C4C5=C(C=C(C=C5)O)OC(=O)C4=C(SC3C2=O)N
InChI=1SC23H18N2O8Sc13113639(22(29)322)712(13)2520(27)1615115410(26)814(11)3323(30)17(15)19(24)3418(16)21(25)28h3815161826H24H212H3
methyl3(5amino9hydroxy136trioxo33a11b11ctetrahydro6Hchromeno(4345)thiopyrano(23c)pyrrol2(1H)yl)4methoxybenzoate
methyl3(5amino9hydroxy136trioxo33adihydro1Hchromeno(4345)thiopyrano(23c)pyrrol2(6H11bH11cH)yl)4methoxybenzoate
MFCD22585754
ZINC000107169695
ZINC000245311702
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