Vitas-M small molecule compound
3-(5-amino-8-methoxy-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)benzoic acid
Catalog ID
STL317499
SMILES COc1cccc2c1OC(=O)C1=C(N)SC3C(C21)C(=O)N(C3=O)c1cccc(c1)C(=O)O
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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 C22H16N2O7S MW 452.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O7S/c1-30-12-7-3-6-11-13-14-17(32-18(23)15(13)22(29)31-16(11)12)20(26)24(19(14)25)10-5-2-4-9(8-10)21(27)28/h2-8,13-14,17H,23H2,1H3,(H,27,28)InChIKey
ZNLYGRBFYCVFNC-UHFFFAOYSA-NSynonyms
3(5amino8methoxy136trioxo33a11b11ctetrahydro6Hchromeno(4345)thiopyrano(23c)pyrrol2(1H)yl)benzoicacid
3(5amino8methoxy136trioxo33adihydro1Hchromeno(4345)thiopyrano(23c)pyrrol2(6H11bH11cH)yl)benzoicacidhydrochloride
COC1=CC=CC2=C1OC(=O)C3=C(SC4C(C23)C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)O)N
COc1cccc2c1OC(=O)C1=C(N)SC3C(C21)C(=O)N(C3=O)c1cccc(c1)C(=O)OCl
InChI=1SC22H16N2O7Sc1301273611131417(3218(23)15(13)22(29)3116(11)12)20(26)24(19(14)25)105249(810)21(27)28h28131417H23H21H3(H2728)
MFCD28028418
ZINC000101412827
ZINC000245313075
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