Vitas-M small molecule compound
N-(2,4-dimethoxyphenyl)-1-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(2-fluorobenzyl)amino]cyclohexanecarboxamide
Catalog ID
STL439396
SMILES COc1cc(OC)ccc1NC(=O)C1(CCCCC1)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1ccccc1F
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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 C38H44FN3O4 MW 625.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44FN3O4/c1-24-34(27-14-8-10-16-30(27)40-24)35-28(37(35,2)3)22-33(43)42(23-25-13-7-9-15-29(25)39)38(19-11-6-12-20-38)36(44)41-31-18-17-26(45-4)21-32(31)46-5/h7-10,13-18,21,28,35,40H,6,11-12,19-20,22-23H2,1-5H3,(H,41,44)InChIKey
AIWUDCVZUPLQEK-UHFFFAOYSA-NSynonyms
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4F)C5(CCCCC5)C(=O)NC6=C(C=C(C=C6)OC)OC
COc1cc(OC)ccc1NC(=O)C1(CCCCC1)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1ccccc1F
InChI=1SC38H44FN3O4c12434(27148101630(27)4024)3528(37(352)3)2233(43)42(232513791529(25)39)38(19116122038)36(44)4131181726(454)2132(31)465h710131821283540H6111219202223H215H3(H4144)
MFCD29709787
N(24dimethoxyphenyl)1(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(2fluorobenzyl)amino)cyclohexanecarboxamide
N(24DIMETHOXYPHENYL)1((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)((2FLUOROPHENYL)METHYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
N(24DIMETHOXYPHENYL)1(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(2FLUOROBENZYL)ACETAMIDO)CYCLOHEXANECARBOXAMIDE
ZINC000008749288
ZINC000101386285
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