Vitas-M small molecule compound
(2Z)-2-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-fluorobenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK904532
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)F)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/c1-2-3-17-41-26-15-11-22(12-16-26)29-23(20-37(36-29)25-7-5-4-6-8-25)19-28-31(40)38-32(42-28)34-30(39)27(35-38)18-21-9-13-24(33)14-10-21/h4-16,19-20H,2-3,17-18H2,1H3/b28-19-InChIKey
QGAPRMVGMNTUMN-USHMODERSA-NSynonyms
(2Z)2((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6(4fluorobenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(4butoxyphenyl)1phenylpyrazol4yl)methylidene)6((4fluorophenyl)methyl)(13)thiazolo(32b)(124)triazine37dione
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)F)S3)C6=CC=CC=C6
CCCCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)F)c1ccccc1
InChI=1SC32H26FN5O3Sc123174126151122(121626)2923(2037(3629)257546825)192831(40)3832(4228)3430(39)27(3538)182191324(33)141021h4161920H231718H21H3b2819
MFCD18076101
ZINC000097947320
ZINC97947320
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