Vitas-M small molecule compound

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

Catalog ID
STK706055
SMILES CC(COc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1)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 C34H31N5O3S MW 589.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O3S/c1-21(2)20-42-29-15-14-25(16-23(29)4)31-26(19-38(37-31)27-8-6-5-7-9-27)18-30-33(41)39-34(43-30)35-32(40)28(36-39)17-24-12-10-22(3)11-13-24/h5-16,18-19,21H,17,20H2,1-4H3/b30-18-
InChIKey
CAYROTYTSYDQJO-YKQZZPSBSA-N
Synonyms

(2Z)2((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6((4METHYLPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methylbenzyl)2((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4isobutoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methylbenzyl)2Hthiazolo(32b)(124)triazine37dione
CC(COc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1)C
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCC(C)C)C)C6=CC=CC=C6)SC3=NC2=O
InChI=1SC34H31N5O3Sc121(2)204229151425(1623(29)4)3126(1938(3731)278657927)183033(41)3934(4330)3532(40)28(3639)1724121022(3)111324h516181921H1720H214H3b3018
MFCD03535628
ZINC000001876990
ZINC01876990
ZINC1876990

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Available files

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