Vitas-M small molecule compound
2-[(11aS)-1,3-dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
Catalog ID
STL458043
SMILES OC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccccc1)c1c(C2)c2ccccc2[nH]1
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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 C26H19N3O4 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O4/c30-24-21-14-18-16-10-4-6-12-19(16)27-22(18)23(15-8-2-1-3-9-15)28(21)26(33)29(24)20-13-7-5-11-17(20)25(31)32/h1-13,21,23,27H,14H2,(H,31,32)/t21-,23?/m0/s1InChIKey
XCTSBBVUEIYXIA-BBQAJUCSSA-NSynonyms
956918-04-02((11aS)13dioxo5phenyl1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoicacid
2((11aS)13dioxo5phenyl561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoicacid
2((3aS)13diketo10phenyl3a4910tetrahydroimidazo(15b)$bcarbolin2yl)benzoicacid
956918040
C1C2C(=O)N(C(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O
InChI=1SC26H19N3O4c30242114181610461219(16)2722(18)23(158213915)28(21)26(33)29(24)2013751117(20)25(31)32h113212327H14H2(H3132)t2123?m0s1
MFCD06495745
OC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccccc1)c1c(C2)c2ccccc2(nH)1
ZINC000002138123
ZINC000002138125
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