Vitas-M small molecule compound
(3aS,4R,9bR)-4-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Catalog ID
STL193647
SMILES COc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cccc(c1OC)OC
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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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-32-18-12-10-17(11-13-18)29-35(30,31)19-14-15-24-23(16-19)20-6-4-7-21(20)26(28-24)22-8-5-9-25(33-2)27(22)34-3/h4-6,8-16,20-21,26,28-29H,7H2,1-3H3/t20-,21+,26-/m1/s1InChIKey
WMXHFJQOGRAANS-YZIHRLCOSA-NSynonyms
(3aS4R9bR)4(23dimethoxyphenyl)N(4methoxyphenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8sulfonamide
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=C(C(=CC=C5)OC)OC
COc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1cccc(c1OC)OC
InChI=1SC27H28N2O5Sc13218121017(111318)2935(3031)1914152423(1619)2064721(20)26(2824)2285925(332)27(22)343h468162021262829H7H213H3t2021+26m1s1
MFCD22391122
ZINC000006057123
ZINC6057123
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