Vitas-M small molecule compound
(2Z)-2-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK815995
SMILES COc1ccc(cc1F)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)c1ccccc1)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 C28H18FN5O3S MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18FN5O3S/c1-37-22-13-12-18(14-21(22)29)24-19(16-33(31-24)20-10-6-3-7-11-20)15-23-27(36)34-28(38-23)30-26(35)25(32-34)17-8-4-2-5-9-17/h2-16H,1H3/b23-15-InChIKey
BQCCKNSQNDMOKX-HAHDFKILSA-NSynonyms
(2Z)2((3(3fluoro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6phenyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(3fluoro4methoxyphenyl)1phenylpyrazol4yl)methylidene)6phenyl(13)thiazolo(32b)(124)triazine37dione
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)F
COc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)c1ccccc1)c1ccccc1
InChI=1SC28H18FN5O3Sc13722131218(1421(22)29)2419(1633(3124)20106371120)152327(36)3428(3823)3026(35)25(3234)178425917h216H1H3b2315
MFCD03534579
ZINC000098046298
ZINC98046298
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