Vitas-M small molecule compound

(2Z)-6-(4-methoxybenzyl)-2-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK818720
SMILES COc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)/c2=O

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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 C32H27N5O4S MW 577.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O4S/c1-20(2)41-26-15-11-22(12-16-26)29-23(19-36(35-29)24-7-5-4-6-8-24)18-28-31(39)37-32(42-28)33-30(38)27(34-37)17-21-9-13-25(40-3)14-10-21/h4-16,18-20H,17H2,1-3H3/b28-18-
InChIKey
PIVXTYUSSIBAAR-VEILYXNESA-N
Synonyms
714940-28-0
(2Z)6((4METHOXYPHENYL)METHYL)2((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methoxybenzyl)2((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
714940280
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)OC)S3)C6=CC=CC=C6
COc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)c2=O
InChI=1SC32H27N5O4Sc120(2)4126151122(121626)2923(1936(3529)247546824)182831(39)3732(4228)3330(38)27(3437)172191325(403)141021h4161820H17H213H3b2818
MFCD05736588
ZINC000001899511
ZINC01899511
ZINC1899511

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Available files

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