Vitas-M small molecule compound

methyl N-{[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}tryptophanate

Catalog ID
STK684532
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1cc2C(=O)CC(Cc2n(c1=O)c1ccc(cc1)Cl)(C)C

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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 C30H28ClN3O5 MW 546.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O5/c1-30(2)14-25-21(26(35)15-30)13-22(28(37)34(25)19-10-8-18(31)9-11-19)27(36)33-24(29(38)39-3)12-17-16-32-23-7-5-4-6-20(17)23/h4-11,13,16,24,32H,12,14-15H2,1-3H3,(H,33,36)
InChIKey
XNCBOLWVYADRSQ-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC)C(=O)C1)C
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)c1cc2C(=O)CC(Cc2n(c1=O)c1ccc(cc1)Cl)(C)C
InChI=1SC30H28ClN3O5c130(2)142521(26(35)1530)1322(28(37)34(25)1910818(31)91119)27(36)3324(29(38)393)1217163223754620(17)23h41113162432H121415H213H3(H3336)
METHYL2((1(4CHLOROPHENYL)77DIMETHYL25DIOXO68DIHYDROQUINOLINE3CARBONYL)AMINO)3(1HINDOL3YL)PROPANOATE
methylN((1(4chlorophenyl)77dimethyl25dioxo125678hexahydroquinolin3yl)carbonyl)tryptophanate
MFCD02905738
ZINC000001425673
ZINC000001425674

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Available files

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