Vitas-M small molecule compound

ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-phenylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate

Catalog ID
STK167373
SMILES CCOC(=O)c1cnc(nc1CN1CCN(CC1)c1ccccc1)Nc1nc2c(o1)cccc2

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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 C25H26N6O3 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O3/c1-2-33-23(32)19-16-26-24(29-25-28-20-10-6-7-11-22(20)34-25)27-21(19)17-30-12-14-31(15-13-30)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3,(H,26,27,28,29)
InChIKey
HFQJZJGEARJFHZ-UHFFFAOYSA-N
Synonyms
669718-82-5
669718825
CCOC(=O)C1=CN=C(N=C1CN2CCN(CC2)C3=CC=CC=C3)NC4=NC5=CC=CC=C5O4
ETHYL2(13BENZOXAZOL2YLAMINO)4((4PHENYL1PIPERAZINYL)METHYL)5PYRIMIDINECARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4((4PHENYLPIPERAZIN1YL)METHYL)PYRIMIDINE5CARBOXYLATE
ethyl2(benzo(d)oxazol2ylamino)4((4phenylpiperazin1yl)methyl)pyrimidine5carboxylate
ETHYL2(BENZOXAZOL2YLAMINO)4((4PHENYLPIPERAZINYL)METHYL)PYRIMIDINE5CARBOXYLATE
InChI=1SC25H26N6O3c123323(32)19162624(2925282010671122(20)3425)2721(19)1730121431(151330)188435918h31116H2121517H21H3(H26272829)
MFCD04183111
ZINC000096299693
ZINC96299693

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Available files

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