Vitas-M small molecule compound
4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(2-fluorobenzyl)amino]-N-[4-(morpholin-4-yl)phenyl]tetrahydro-2H-thiopyran-4-carboxamide
Catalog ID
STL439447
SMILES O=C(N(C1(CCSCC1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1ccccc1F)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 C39H45FN4O3S MW 668.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45FN4O3S/c1-26-35(30-9-5-7-11-33(30)41-26)36-31(38(36,2)3)24-34(45)44(25-27-8-4-6-10-32(27)40)39(16-22-48-23-17-39)37(46)42-28-12-14-29(15-13-28)43-18-20-47-21-19-43/h4-15,31,36,41H,16-25H2,1-3H3,(H,42,46)InChIKey
ORJCWKYKVNPMJA-UHFFFAOYSA-NSynonyms
4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(2fluorobenzyl)amino)N(4(morpholin4yl)phenyl)tetrahydro2Hthiopyran4carboxamide
4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)N(4MORPHOLIN4YLPHENYL)THIANE4CARBOXAMIDE
4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(2FLUOROBENZYL)ACETAMIDO)N(4MORPHOLINOPHENYL)TETRAHYDRO2HTHIOPYRAN4CARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4F)C5(CCSCC5)C(=O)NC6=CC=C(C=C6)N7CCOCC7
InChI=1SC39H45FN4O3Sc12635(309571133(30)4126)3631(38(362)3)2434(45)44(25278461032(27)40)39(162248231739)37(46)4228121429(151328)43182047211943h415313641H1625H213H3(H4246)
MFCD29709830
O=C(N(C1(CCSCC1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1ccccc1F)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2
ZINC000150346651
ZINC000150542706
Check stock
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