Vitas-M small molecule compound
3-(11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl)benzoic acid
Catalog ID
STL458050
SMILES OC(=O)c1cccc(c1)N1C(=O)N2C(C1=O)(C)c1[nH]c3c(c1CC2)cccc3
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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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-21-17-15(14-7-2-3-8-16(14)22-17)9-10-23(21)20(28)24(19(21)27)13-6-4-5-12(11-13)18(25)26/h2-8,11,22H,9-10H2,1H3,(H,25,26)InChIKey
KWPKGKJDUAFHJH-UHFFFAOYSA-NSynonyms
(S)3(11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)benzoicacid
3(11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)benzoicacid
3(13diketo11bmethyl611dihydro5Himidazo(51a)$bcarbolin2yl)benzoicacid
CC12C3=C(CCN1C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N3
InChI=1SC21H17N3O4c1211715(14723816(14)2217)91023(21)20(28)24(19(21)27)1364512(1113)18(25)26h281122H910H21H3(H2526)
MFCD05667994
OC(=O)c1cccc(c1)N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3
OC(=O)c1cccc(c1)N1C(=O)N2C(C1=O)(C)c1(nH)c3c(c1CC2)cccc3
ZINC000002111596
ZINC000004073641
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