Vitas-M small molecule compound

1-(benzyl{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}amino)-N-[4-(morpholin-4-yl)phenyl]cyclopentanecarboxamide

Catalog ID
STL439373
SMILES O=C(N(C1(CCCC1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1ccccc1)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2

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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 C39H46N4O3 MW 618.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N4O3/c1-27-35(31-13-7-8-14-33(31)40-27)36-32(38(36,2)3)25-34(44)43(26-28-11-5-4-6-12-28)39(19-9-10-20-39)37(45)41-29-15-17-30(18-16-29)42-21-23-46-24-22-42/h4-8,11-18,32,36,40H,9-10,19-26H2,1-3H3,(H,41,45)
InChIKey
PVYOUBTYARWHJB-UHFFFAOYSA-N
Synonyms

1(benzyl((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)amino)N(4(morpholin4yl)phenyl)cyclopentanecarboxamide
1(BENZYL(2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)AMINO)N(4MORPHOLIN4YLPHENYL)CYCLOPENTANE1CARBOXAMIDE
1(NBENZYL2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETAMIDO)N(4MORPHOLINOPHENYL)CYCLOPENTANECARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4)C5(CCCC5)C(=O)NC6=CC=C(C=C6)N7CCOCC7
InChI=1SC39H46N4O3c12735(3113781433(31)4027)3632(38(362)3)2534(44)43(2628115461228)39(199102039)37(45)4129151730(181629)42212346242242h481118323640H9101926H213H3(H4145)
MFCD29709768
O=C(N(C1(CCCC1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1ccccc1)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000008696026
ZINC000101386382

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Available files

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