Vitas-M small molecule compound
(3-chloro-6-nitro-1-benzothiophen-2-yl)[2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]methanone
Catalog ID
STK085376
SMILES Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)c1sc2c(c1Cl)ccc(c2)[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 C28H25ClN2O3S MW 505.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O3S/c1-17-9-11-18(12-10-17)28(4)16-27(2,3)30(22-8-6-5-7-21(22)28)26(32)25-24(29)20-14-13-19(31(33)34)15-23(20)35-25/h5-15H,16H2,1-4H3InChIKey
PSQHQGCYMSZPJW-UHFFFAOYSA-NSynonyms
314039-84-4(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(224TRIMETHYL4(4METHYLPHENYL)34DIHYDROQUINOLIN1(2H)YL)METHANONE
(3CHLORO6NITRO1BENZOTHIOPHEN2YL)(224TRIMETHYL4(4METHYLPHENYL)3HQUINOLIN1YL)METHANONE
(3chloro6nitrobenzo(b)thiophen2yl)(224trimethyl4(ptolyl)34dihydroquinolin1(2H)yl)methanone
314039844
CC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)C(=O)C4=C(C5=C(S4)C=C(C=C5)(N+)(=O)(O))Cl)(C)C)C
Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC28H25ClN2O3Sc11791118(121017)28(4)1627(23)30(22865721(22)28)26(32)2524(29)20141319(31(33)34)1523(20)3525h515H16H214H3
MFCD01796240
STK085376
ZINC000002266591
ZINC000002266592
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.