Vitas-M small molecule compound
3-benzyl-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK831572
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1Nc2ccccc2C(=O)N1Cc1ccccc1
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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 C26H23N5O4 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4/c1-35-24-12-11-19(13-20(24)16-29-17-21(14-27-29)31(33)34)25-28-23-10-6-5-9-22(23)26(32)30(25)15-18-7-3-2-4-8-18/h2-14,17,25,28H,15-16H2,1H3InChIKey
BZWNKUGMWXJQII-UHFFFAOYSA-NSynonyms
312310-72-82(4METHOXY3((4NITROPYRAZOLYL)METHYL)PHENYL)3BENZYL123TRIHYDROQUINAZOLIN4ONE
312310728
3benzyl2(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)23dihydroquinazolin4(1H)one
3BENZYL2(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)12DIHYDROQUINAZOLIN4ONE
COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5C=C(C=N5)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1Nc2ccccc2C(=O)N1Cc1ccccc1
InChI=1SC26H23N5O4c13524121119(1320(24)16291721(142729)31(33)34)2528231065922(23)26(32)30(25)15187324818h214172528H1516H21H3
MFCD01874948
ZINC000000872119
ZINC000000872120
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