Vitas-M small molecule compound
N-{(2S)-1-[(4-bromo-2-fluorophenyl)amino]-1-oxopropan-2-yl}-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STK631406
SMILES COc1cc2CN(CCc2cc1OC)C(=O)N[C@H](C(=O)Nc1ccc(cc1F)Br)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 C21H23BrFN3O4 MW 480.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrFN3O4/c1-12(20(27)25-17-5-4-15(22)10-16(17)23)24-21(28)26-7-6-13-8-18(29-2)19(30-3)9-14(13)11-26/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,28)(H,25,27)/t12-/m0/s1InChIKey
KGYFGMKDQWHTQI-LBPRGKRZSA-NSynonyms
1014064-74-4(S)N(1((4bromo2fluorophenyl)amino)1oxopropan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
1014064744
CC(C(=O)NC1=C(C=C(C=C1)Br)F)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
COc1cc2CN(CCc2cc1OC)C(=O)N(C@H)(C(=O)Nc1ccc(cc1F)Br)C
InChI=1SC21H23BrFN3O4c112(20(27)25175415(22)1016(17)23)2421(28)267613818(292)19(303)914(13)1126h4581012H6711H213H3(H2428)(H2527)t12m0s1
MFCD08744994
N((2S)1((4bromo2fluorophenyl)amino)1oxopropan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
N((2S)1(4bromo2fluoroanilino)1oxopropan2yl)67dimethoxy34dihydro1Hisoquinoline2carboxamide
ZINC000013625516
ZINC13625516
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