Vitas-M small molecule compound
(2Z)-2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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
STK815999
SMILES O=c1nc2s/c(=C\c3cn(nc3c3ccc4c(c3)OCCO4)c3ccccc3)/c(=O)n2nc1c1ccccc1
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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 C29H19N5O4S MW 533.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19N5O4S/c35-27-26(18-7-3-1-4-8-18)32-34-28(36)24(39-29(34)30-27)16-20-17-33(21-9-5-2-6-10-21)31-25(20)19-11-12-22-23(15-19)38-14-13-37-22/h1-12,15-17H,13-14H2/b24-16-InChIKey
SFGRSAFMPJGVRL-JLPGSUDCSA-NSynonyms
(2Z)2((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)6phenyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)6PHENYL(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=O)C(=N5)C6=CC=CC=C6)S4)C7=CC=CC=C7
InChI=1SC29H19N5O4Sc352726(187314818)323428(36)24(3929(34)3027)16201733(2195261021)3125(20)1911122223(1519)3814133722h1121517H1314H2b2416
MFCD03534559
O=c1nc2sc(=Cc3cn(nc3c3ccc4c(c3)OCCO4)c3ccccc3)c(=O)n2nc1c1ccccc1
ZINC000033354013
ZINC33354013
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