Vitas-M small molecule compound

tert-butyl (3S)-3-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK596960
SMILES COc1ccc(cc1)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(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 C24H29N3O5 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O5/c1-24(2,3)32-23(30)27-15-17-8-6-5-7-16(17)13-20(27)22(29)25-14-21(28)26-18-9-11-19(31-4)12-10-18/h5-12,20H,13-15H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
InChIKey
IKUWVTAMNGCIML-FQEVSTJZSA-N
Synonyms
1014042-46-6
(S)tertbutyl3((2((4methoxyphenyl)amino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014042466
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3=CC=C(C=C3)OC
COc1ccc(cc1)NC(=O)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC24H29N3O5c124(23)3223(30)271517865716(17)1320(27)22(29)251421(28)261891119(314)121018h51220H1315H214H3(H2529)(H2628)t20m0s1
MFCD06773644
tertbutyl(3S)3((2((4methoxyphenyl)amino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3((2(4methoxyanilino)2oxoethyl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009449788
ZINC09449788
ZINC9449788

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Available files

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