Vitas-M small molecule compound
3-(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)benzoic acid
Catalog ID
STL311821
SMILES O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1C1C(=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 C21H14N2O6S MW 422.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O6S/c22-17-15-13(11-6-1-2-7-12(11)29-21(15)28)14-16(30-17)19(25)23(18(14)24)10-5-3-4-9(8-10)20(26)27/h1-8,13-14,16H,22H2,(H,26,27)InChIKey
HGYXCKGDHCODDJ-UHFFFAOYSA-NSynonyms
1401588-48-41401588484
3(5amino136trioxo33a11b11ctetrahydro6Hchromeno(4345)thiopyrano(23c)pyrrol2(1H)yl)benzoicacid
3(5amino136trioxo33adihydro1Hchromeno(4345)thiopyrano(23c)pyrrol2(6H11bH11cH)yl)benzoicacid
C1=CC=C2C(=C1)C3C4C(C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)O)SC(=C3C(=O)O2)N
InChI=1SC21H14N2O6Sc22171513(11612712(11)2921(15)28)1416(3017)19(25)23(18(14)24)105349(810)20(26)27h18131416H22H2(H2627)
MFCD22582799
ZINC000095474324
ZINC000107166299
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