Vitas-M small molecule compound

N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxamide

Catalog ID
STK602002
SMILES COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)N[C@H](C(=O)NC1CC1)Cc1ccccc1

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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 C30H33N3O4 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4/c1-36-26-18-22-15-16-33(28(21-11-7-4-8-12-21)24(22)19-27(26)37-2)30(35)32-25(29(34)31-23-13-14-23)17-20-9-5-3-6-10-20/h3-12,18-19,23,25,28H,13-17H2,1-2H3,(H,31,34)(H,32,35)/t25-,28?/m0/s1
InChIKey
IJHKQDQTWLFOCC-ALLRNTDFSA-N
Synonyms
956259-05-5
956259055
COC1=C(C=C2C(N(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4)C5=CC=CC=C5)OC
COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)N(C@H)(C(=O)NC1CC1)Cc1ccccc1
InChI=1SC30H33N3O4c136261822151633(28(21117481221)24(22)1927(26)372)30(35)3225(29(34)3123131423)172095361020h3121819232528H1317H212H3(H3134)(H3235)t2528?m0s1
MFCD10488579
N((2S)1(cyclopropylamino)1oxo3phenylpropan2yl)67dimethoxy1phenyl34dihydro1Hisoquinoline2carboxamide
N((2S)1(cyclopropylamino)1oxo3phenylpropan2yl)67dimethoxy1phenyl34dihydroisoquinoline2(1H)carboxamide
N((S)1(cyclopropylamino)1oxo3phenylpropan2yl)67dimethoxy1phenyl34dihydroisoquinoline2(1H)carboxamide
ZINC000009135079
ZINC000009135080

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Available files

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