Vitas-M small molecule compound
1-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(pyridin-3-ylmethyl)amino]-N-[4-(morpholin-4-yl)phenyl]cyclopentanecarboxamide
Catalog ID
STL439379
SMILES O=C(N(C1(CCCC1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1cccnc1)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 C38H45N5O3 MW 619.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N5O3/c1-26-34(30-10-4-5-11-32(30)40-26)35-31(37(35,2)3)23-33(44)43(25-27-9-8-18-39-24-27)38(16-6-7-17-38)36(45)41-28-12-14-29(15-13-28)42-19-21-46-22-20-42/h4-5,8-15,18,24,31,35,40H,6-7,16-17,19-23,25H2,1-3H3,(H,41,45)InChIKey
XGNFJNQXXUFBCV-UHFFFAOYSA-NSynonyms
1(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(pyridin3ylmethyl)amino)N(4(morpholin4yl)phenyl)cyclopentanecarboxamide
1((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)N(4MORPHOLIN4YLPHENYL)CYCLOPENTANE1CARBOXAMIDE
1(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(PYRIDIN3YLMETHYL)ACETAMIDO)N(4MORPHOLINOPHENYL)CYCLOPENTANECARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CN=CC=C4)C5(CCCC5)C(=O)NC6=CC=C(C=C6)N7CCOCC7
InChI=1SC38H45N5O3c12634(3010451132(30)4026)3531(37(352)3)2333(44)43(25279818392427)38(16671738)36(45)4128121429(151328)42192146222042h458151824313540H671617192325H213H3(H4145)
MFCD29709773
O=C(N(C1(CCCC1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1cccnc1)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000008696031
ZINC000101386351
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