Vitas-M small molecule compound
(3aS,4R,9bR)-4-(3-chlorophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylic acid
Catalog ID
STL302223
SMILES Clc1cccc(c1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)ccc(c2C)C(=O)O
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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 C20H18ClNO2 MW 339.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO2/c1-11-14(20(23)24)8-9-17-15-6-3-7-16(15)19(22-18(11)17)12-4-2-5-13(21)10-12/h2-6,8-10,15-16,19,22H,7H2,1H3,(H,23,24)/t15-,16+,19+/m1/s1InChIKey
LPMBESPHZMRLCH-GJYPPUQNSA-NSynonyms
(3aS4R9bR)4(3chlorophenyl)6methyl3a459btetrahydro3Hcyclopenta(c)quinoline7carboxylicacid
CC1=C(C=CC2=C1NC(C3C2C=CC3)C4=CC(=CC=C4)Cl)C(=O)O
Clc1cccc(c1)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)ccc(c2C)C(=O)O
InChI=1SC20H18ClNO2c11114(20(23)24)89171563716(15)19(2218(11)17)1242513(21)1012h2681015161922H7H21H3(H2324)t1516+19+m1s1
ZINC000004172177
ZINC4172177
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