Vitas-M small molecule compound
(4-tert-butylphenyl)[(2R,3S,4S)-2-ethyl-4-[(4-iodophenyl)amino]-3-methyl-3,4-dihydroquinolin-1(2H)-yl]methanone
Catalog ID
STK077777
SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(cc2)I)c2c(N1C(=O)c1ccc(cc1)C(C)(C)C)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 C29H33IN2O MW 552.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33IN2O/c1-6-25-19(2)27(31-23-17-15-22(30)16-18-23)24-9-7-8-10-26(24)32(25)28(33)20-11-13-21(14-12-20)29(3,4)5/h7-19,25,27,31H,6H2,1-5H3/t19-,25-,27+/m1/s1InChIKey
HMHVDLUMRTYTMA-JRLVAEJTSA-NSynonyms
(4TERTBUTYLPHENYL)((2R3S4S)2ETHYL4((4IODOPHENYL)AMINO)3METHYL34DIHYDROQUINOLIN1(2H)YL)METHANONE
(4tertbutylphenyl)((2R3S4S)2ethyl4(4iodoanilino)3methyl34dihydro2Hquinolin1yl)methanone
CC(C@@H)1(C@@H)(C)(C@H)(Nc2ccc(cc2)I)c2c(N1C(=O)c1ccc(cc1)C(C)(C)C)cccc2
CCC1C(C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=C(C=C4)I)C
InChI=1SC29H33IN2Oc162519(2)27(3123171522(30)161823)249781026(24)32(25)28(33)20111321(141220)29(34)5h719252731H6H215H3t192527+m1s1
MFCD13368378
STK077777
ZINC000101478468
ZINC101478468
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