Vitas-M small molecule compound
ethyl 1-chloro-4-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Catalog ID
STK523152
SMILES CCOC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Cl)Sc1ccccc1[N+](=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 C27H24Cl2N2O4S MW 543.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N2O4S/c1-2-35-27(32)16-9-12-20-18(13-16)24-19(26(30-20)15-7-10-17(28)11-8-15)14-23(25(24)29)36-22-6-4-3-5-21(22)31(33)34/h3-13,19,23-26,30H,2,14H2,1H3InChIKey
KNUBFFHFWORXOG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4(N+)(=O)(O))Cl)C5=CC=C(C=C5)Cl
CCOC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Cl)Sc1ccccc1(N+)(=O)(O)
ethyl1chloro4(4chlorophenyl)2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinoline8carboxylate
ETHYL1CHLORO4(4CHLOROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE8CARBOXYLATE
InChI=1SC27H24Cl2N2O4Sc123527(32)169122018(1316)2419(26(3020)1571017(28)11815)1423(25(24)29)3622643521(22)31(33)34h31319232630H214H21H3
MFCD01164106
ZINC000102975348
ZINC000229984057
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