Vitas-M small molecule compound
4-(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)benzoic acid
Catalog ID
STL314754
SMILES Oc1ccc2c(c1)OC(=O)C1=C(SC3C(C21)C(=O)N(C3=O)c1ccc(cc1)C(=O)O)N
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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 C21H14N2O7S MW 438.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O7S/c22-17-15-13(11-6-5-10(24)7-12(11)30-21(15)29)14-16(31-17)19(26)23(18(14)25)9-3-1-8(2-4-9)20(27)28/h1-7,13-14,16,24H,22H2,(H,27,28)InChIKey
LBTMGQXXYSQZIH-UHFFFAOYSA-NSynonyms
1401586-64-81401586648
4(5amino9hydroxy136trioxo33a11b11ctetrahydro6Hchromeno(4345)thiopyrano(23c)pyrrol2(1H)yl)benzoicacid
4(5amino9hydroxy136trioxo33adihydro1Hchromeno(4345)thiopyrano(23c)pyrrol2(6H11bH11cH)yl)benzoicacid
C1=CC(=CC=C1C(=O)O)N2C(=O)C3C4C5=C(C=C(C=C5)O)OC(=O)C4=C(SC3C2=O)N
InChI=1SC21H14N2O7Sc22171513(116510(24)712(11)3021(15)29)1416(3117)19(26)23(18(14)25)9318(249)20(27)28h1713141624H22H2(H2728)
MFCD22582364
ZINC000079476757
ZINC000107165758
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