Vitas-M small molecule compound
[(2R,3S,4S)-4-[(2,4-dibromophenyl)amino]-2-ethyl-3-methyl-3,4-dihydroquinolin-1(2H)-yl](4-nitrophenyl)methanone
Catalog ID
STK076724
SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(cc2Br)Br)c2c(N1C(=O)c1ccc(cc1)[N+](=O)[O-])cccc2
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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 C25H23Br2N3O3 MW 573.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Br2N3O3/c1-3-22-15(2)24(28-21-13-10-17(26)14-20(21)27)19-6-4-5-7-23(19)29(22)25(31)16-8-11-18(12-9-16)30(32)33/h4-15,22,24,28H,3H2,1-2H3/t15-,22-,24+/m1/s1InChIKey
BWPQAUSWVVHDIL-CHVDNLQBSA-NSynonyms
((2R3S4S)4((24DIBROMOPHENYL)AMINO)2ETHYL3METHYL34DIHYDROQUINOLIN1(2H)YL)(4NITROPHENYL)METHANONE
((2R3S4S)4(24dibromoanilino)2ethyl3methyl34dihydro2Hquinolin1yl)(4nitrophenyl)methanone
CC(C@@H)1(C@@H)(C)(C@H)(Nc2ccc(cc2Br)Br)c2c(N1C(=O)c1ccc(cc1)(N+)(=O)(O))cccc2
CCC1C(C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)(N+)(=O)(O))NC4=C(C=C(C=C4)Br)Br)C
InChI=1SC25H23Br2N3O3c132215(2)24(2821131017(26)1420(21)27)19645723(19)29(22)25(31)1681118(12916)30(32)33h415222428H3H212H3t152224+m1s1
MFCD13368377
STK076724
ZINC000101477449
ZINC101477449
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