Vitas-M small molecule compound
(6-bromo-1H-indol-3-yl){4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}acetic acid
Catalog ID
STK651919
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)Br)N1CCCN(CC1)c1ccc(cn1)C(F)(F)F
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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 C21H20BrF3N4O2 MW 497.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrF3N4O2/c22-14-3-4-15-16(12-26-17(15)10-14)19(20(30)31)29-7-1-6-28(8-9-29)18-5-2-13(11-27-18)21(23,24)25/h2-5,10-12,19,26H,1,6-9H2,(H,30,31)InChIKey
CKABTKDRZYRLQH-UHFFFAOYSA-NSynonyms
1144455-69-5(6bromo1Hindol3yl)(4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)aceticacid
1144455695
2(6bromo1Hindol3yl)2(4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)aceticacid
C1CN(CCN(C1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O)C4=NC=C(C=C4)C(F)(F)F
InChI=1SC21H20BrF3N4O2c2214341516(122617(15)1014)19(20(30)31)2971628(8929)185213(112718)21(2324)25h2510121926H169H2(H3031)
MFCD12216059
OC(=O)C(c1c(nH)c2c1ccc(c2)Br)N1CCCN(CC1)c1ccc(cn1)C(F)(F)F
ZINC000032097229
ZINC000032097231
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