Vitas-M small molecule compound
N~3~-7H-purin-6-yl-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Catalog ID
STK641976
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CCNc1ncnc2c1[nH]cn2
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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 C15H13F3N6O MW 350.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13F3N6O/c16-15(17,18)9-2-1-3-10(6-9)24-11(25)4-5-19-13-12-14(21-7-20-12)23-8-22-13/h1-3,6-8H,4-5H2,(H,24,25)(H2,19,20,21,22,23)InChIKey
YWTCDCJVBVLCKL-UHFFFAOYSA-NSynonyms
1010871-01-81010871018
3((9Hpurin6yl)amino)N(3(trifluoromethyl)phenyl)propanamide
3(7Hpurin6ylamino)N(3(trifluoromethyl)phenyl)propanamide
C1=CC(=CC(=C1)NC(=O)CCNC2=NC=NC3=C2NC=N3)C(F)(F)F
InChI=1SC15H13F3N6Oc1615(1718)921310(69)2411(25)4519131214(2172012)2382213h1368H45H2(H2425)(H21920212223)
MFCD18162814
N~3~7Hpurin6ylN(3(trifluoromethyl)phenyl)betaalaninamide
N37HPURIN6YLN(3(TRIFLUOROMETHYL)PHENYL)BETAALANINAMIDE
O=C(Nc1cccc(c1)C(F)(F)F)CCNc1ncnc2c1(nH)cn2
O=C(Nc1cccc(c1)C(F)(F)F)CCNc1ncnc2c1nc(nH)2
ZINC000012409905
ZINC12409905
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