Vitas-M small molecule compound
(3S)-1-[4-(propan-2-yl)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Catalog ID
STL458015
SMILES OC(=O)[C@H]1NC(c2ccc(cc2)C(C)C)c2c(C1)c1ccccc1[nH]2
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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 C21H22N2O2 MW 334.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2/c1-12(2)13-7-9-14(10-8-13)19-20-16(11-18(23-19)21(24)25)15-5-3-4-6-17(15)22-20/h3-10,12,18-19,22-23H,11H2,1-2H3,(H,24,25)/t18-,19?/m0/s1InChIKey
CSVSRMZSIDQBRX-OYKVQYDMSA-NSynonyms
(3S)1(4(propan2yl)phenyl)2349tetrahydro1Hbetacarboline3carboxylicacid
(3S)1(4propan2ylphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
1(4isopropylphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
CC(C)C1=CC=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3
InChI=1SC21H22N2O2c112(2)137914(10813)192016(1118(2319)21(24)25)15534617(15)2220h3101218192223H11H212H3(H2425)t1819?m0s1
OC(=O)(C@H)1NC(c2ccc(cc2)C(C)C)c2c(C1)c1ccccc1(nH)2
OC(=O)C1NC(c2ccc(cc2)C(C)C)c2c(C1)c1ccccc1(nH)2
ZINC000000187826
ZINC000000187828
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