Vitas-M small molecule compound
(3aS,4R,9bR)-4-[4-(methoxycarbonyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Catalog ID
STL221967
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-26-21(25)13-7-5-12(6-8-13)19-16-4-2-3-15(16)17-11-14(20(23)24)9-10-18(17)22-19/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16+,19+/m1/s1InChIKey
QNNQRBONDFMTCC-GJYPPUQNSA-NSynonyms
1217642-73-3(3aS4R9bR)4(4(methoxycarbonyl)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylicacid
(3AS4R9BR)4(4METHOXYCARBONYLPHENYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE8CARBOXYLICACID
1217642733
COC(=O)C1=CC=C(C=C1)C2C3CC=CC3C4=C(N2)C=CC(=C4)C(=O)O
COC(=O)c1ccc(cc1)(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)C(=O)O
InChI=1SC21H19NO4c12621(25)137512(6813)191642315(16)171114(20(23)24)91018(17)2219h2351115161922H4H21H3(H2324)t1516+19+m1s1
MFCD23700935
ZINC000004172141
ZINC4172141
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