Vitas-M small molecule compound

N~2~-[(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)acetyl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]alaninamide

Catalog ID
STL236588
SMILES COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NC(C(=O)NCCc1c[nH]c2c1cc(F)cc2)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 C25H26FN5O5 MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FN5O5/c1-14(24(33)27-7-6-15-11-28-19-5-4-16(26)8-17(15)19)30-23(32)12-31-13-29-20-10-22(36-3)21(35-2)9-18(20)25(31)34/h4-5,8-11,13-14,28H,6-7,12H2,1-3H3,(H,27,33)(H,30,32)
InChIKey
RFRXHZMJFNIKSE-UHFFFAOYSA-N
Synonyms

(S)2(2(67dimethoxy4oxoquinazolin3(4H)yl)acetamido)N(2(5fluoro1Hindol3yl)ethyl)propanamide
2((2(67dimethoxy4oxoquinazolin3yl)acetyl)amino)N(2(5fluoro1Hindol3yl)ethyl)propanamide
CC(C(=O)NCCC1=CNC2=C1C=C(C=C2)F)NC(=O)CN3C=NC4=CC(=C(C=C4C3=O)OC)OC
COc1cc2c(cc1OC)ncn(c2=O)CC(=O)N(C@H)(C(=O)NCCc1c(nH)c2c1cc(F)cc2)C
COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NC(C(=O)NCCc1c(nH)c2c1cc(F)cc2)C
InChI=1SC25H26FN5O5c114(24(33)2776151128195416(26)817(15)19)3023(32)12311329201022(363)21(352)918(20)25(31)34h45811131428H6712H213H3(H2733)(H3032)
MFCD24858653
N~2~((67dimethoxy4oxoquinazolin3(4H)yl)acetyl)N(2(5fluoro1Hindol3yl)ethyl)alaninamide
N2((67DIMETHOXY4OXOQUINAZOLIN3(4H)YL)ACETYL)N(2(5FLUORO1HINDOL3YL)ETHYL)ALANINAMIDE
ZINC000020744545
ZINC000080356871

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.