Vitas-M small molecule compound
methyl 2-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)benzoate
Catalog ID
STL317434
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(S2)N)C(=O)Oc2c1cccc2
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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 C22H16N2O6S MW 436.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O6S/c1-29-21(27)10-6-2-4-8-12(10)24-19(25)15-14-11-7-3-5-9-13(11)30-22(28)16(14)18(23)31-17(15)20(24)26/h2-9,14-15,17H,23H2,1H3InChIKey
VDJYLKBQDGNOHS-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C5=CC=CC=C5OC(=O)C4=C(SC3C2=O)N
COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(S2)N)C(=O)Oc2c1cccc2Cl
InChI=1SC22H16N2O6Sc12921(27)10624812(10)2419(25)151411735913(11)3022(28)16(14)18(23)3117(15)20(24)26h29141517H23H21H3
methyl2(5amino136trioxo33a11b11ctetrahydro6Hchromeno(4345)thiopyrano(23c)pyrrol2(1H)yl)benzoate
methyl2(5amino136trioxo33adihydro1Hchromeno(4345)thiopyrano(23c)pyrrol2(6H11bH11cH)yl)benzoatehydrochloride
MFCD28028376
ZINC000107165392
ZINC000245312506
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