Vitas-M small molecule compound
(2Z)-2-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK799472
SMILES CCCOc1ccc(cc1F)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1
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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 C32H26FN5O3S MW 579.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26FN5O3S/c1-3-15-41-27-14-13-22(17-25(27)33)29-23(19-37(36-29)24-7-5-4-6-8-24)18-28-31(40)38-32(42-28)34-30(39)26(35-38)16-21-11-9-20(2)10-12-21/h4-14,17-19H,3,15-16H2,1-2H3/b28-18-InChIKey
RYVHOFCOMURSAO-VEILYXNESA-NSynonyms
(2Z)2((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6(4methylbenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(3FLUORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6((4METHYLPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)2((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methylbenzyl)2Hthiazolo(32b)(124)triazine37dione
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)C)S3)C6=CC=CC=C6)F
CCCOc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC32H26FN5O3Sc13154127141322(1725(27)33)2923(1937(3629)247546824)182831(40)3832(4228)3430(39)26(3538)162111920(2)101221h4141719H31516H212H3b2818
MFCD03535626
ZINC000097946691
ZINC97946691
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