Vitas-M small molecule compound
(2Z)-6-(4-methylbenzyl)-2-({3-[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
STK799471
SMILES CC(COc1ccc(cc1)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 C33H29N5O3S MW 575.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O3S/c1-21(2)20-41-27-15-13-24(14-16-27)30-25(19-37(36-30)26-7-5-4-6-8-26)18-29-32(40)38-33(42-29)34-31(39)28(35-38)17-23-11-9-22(3)10-12-23/h4-16,18-19,21H,17,20H2,1-3H3/b29-18-InChIKey
UMNYZYFHRSCRDT-MIXAMLLLSA-NSynonyms
(2Z)6((4METHYLPHENYL)METHYL)2((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(4methylbenzyl)2((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2((3(4isobutoxyphenyl)1phenyl1Hpyrazol4yl)methylene)6(4methylbenzyl)2Hthiazolo(32b)(124)triazine37dione
CC(COc1ccc(cc1)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)C6=CC=CC=C6)SC3=NC2=O
InChI=1SC33H29N5O3Sc121(2)204127151324(141627)3025(1937(3630)267546826)182932(40)3833(4229)3431(39)28(3538)172311922(3)101223h416181921H1720H213H3b2918
MFCD03535617
ZINC000001872780
ZINC01872780
ZINC1872780
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