Vitas-M small molecule compound
Catalog ID
STK690119
SMILES COc1ccc(cc1)C1=NOC(C1)(C)[C@H]1CC=C(/C(=N\NC(=O)c2cc3c([nH]2)ccc(c3)F)/C1)C
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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 C27H27FN4O3 MW 474.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O3/c1-16-4-7-19(27(2)15-25(32-35-27)17-5-9-21(34-3)10-6-17)14-23(16)30-31-26(33)24-13-18-12-20(28)8-11-22(18)29-24/h4-6,8-13,19,29H,7,14-15H2,1-3H3,(H,31,33)/b30-23-/t19-,27?/m0/s1InChIKey
KTLIHWUTBYFXDM-CYPITKKESA-NSynonyms
5fluoroN((Z)((5S)5(3(4methoxyphenyl)5methyl4H12oxazol5yl)2methylcyclohex2en1ylidene)amino)1Hindole2carboxamide
CC1=CCC(CC1=NNC(=O)C2=CC3=C(N2)C=CC(=C3)F)C4(CC(=NO4)C5=CC=C(C=C5)OC)C
COc1ccc(cc1)C1=NOC(C1)(C)(C@H)1CC=C(C(=NNC(=O)c2cc3c((nH)2)ccc(c3)F)C1)C
InChI=1SC27H27FN4O3c1164719(27(2)1525(323527)175921(343)10617)1423(16)303126(33)2413181220(28)81122(18)2924h468131929H71415H213H3(H3133)b3023t1927?m0s1
ZINC000100225961
ZINC000100225965
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