Vitas-M small molecule compound
2-amino-1-(2-chloro-4-nitrophenyl)-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174531
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1Cl)[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 C31H28ClN5O4S MW 602.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN5O4S/c1-31(2)14-24-29(25(38)15-31)28(18-7-10-26(41-3)19(12-18)17-42-27-6-4-5-11-35-27)21(16-33)30(34)36(24)23-9-8-20(37(39)40)13-22(23)32/h4-13,28H,14-15,17,34H2,1-3H3InChIKey
FXQXFDOBVJFZOY-UHFFFAOYSA-NSynonyms
444931-24-22amino1(2chloro4nitrophenyl)4(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(2CHLORO4NITROPHENYL)4(4METHOXY3(PYRIDIN2YLSULFANYLMETHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444931242
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)(N+)(=O)(O))Cl)N)C#N)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5)C(=O)C1)C
InChI=1SC31H28ClN5O4Sc131(2)142429(25(38)1531)28(1871026(413)19(1218)174227645113527)21(1633)30(34)36(24)239820(37(39)40)1322(23)32h41328H14151734H213H3
MFCD02606654
N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1Cl)(N+)(=O)(O)
ZINC000008456099
ZINC000008456100
ZINC08456099
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.