Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-7-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK199547
SMILES COc1cc(ccc1OCc1ccccc1F)C1C(=C(C)Nc2n1ncn2)C(=O)Nc1ccc(cc1C)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 C29H28FN5O3 MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN5O3/c1-17-9-11-23(18(2)13-17)34-28(36)26-19(3)33-29-31-16-32-35(29)27(26)20-10-12-24(25(14-20)37-4)38-15-21-7-5-6-8-22(21)30/h5-14,16,27H,15H2,1-4H3,(H,34,36)(H,31,32,33)InChIKey
PUNSHKMZQOJNGT-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=CNN3C2C4=CC(=C(C=C4)OCC5=CC=CC=C5F)OC)C)C
InChI=1SC29H28FN5O3c11791123(18(2)1317)3428(36)2619(3)332931163235(29)27(26)20101224(25(1420)374)381521756822(21)30h5141627H15H214H3(H3436)(H313233)
MFCD06092836
N(24DIMETHYLPHENYL)7(4((2FLUOROBENZYL)OXY)3METHOXYPHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
N(24dimethylphenyl)7(4((2fluorophenyl)methoxy)3methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009934704
ZINC000009934705
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