Vitas-M small molecule compound
(3aS,4R,9bR)-6-ethoxy-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222061
SMILES CCOc1cccc2c1N[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@@H]1[C@H]2C=CC1
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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 C20H20N2O3 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3/c1-2-25-18-8-4-7-17-15-5-3-6-16(15)19(21-20(17)18)13-9-11-14(12-10-13)22(23)24/h3-5,7-12,15-16,19,21H,2,6H2,1H3/t15-,16+,19+/m1/s1InChIKey
MMFVALGIYAVNPU-GJYPPUQNSA-NSynonyms
(3aS4R9bR)6ethoxy4(4nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
CCOC1=CC=CC2=C1NC(C3C2C=CC3)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cccc2c1N(C@@H)(c1ccc(cc1)(N+)(=O)(O))(C@@H)1(C@H)2C=CC1
InChI=1SC20H20N2O3c122518847171553616(15)19(2120(17)18)1391114(121013)22(23)24h3571215161921H26H21H3t1516+19+m1s1
MFCD24857603
ZINC000014165836
ZINC14165836
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