Vitas-M small molecule compound
(2Z)-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-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
STK703307
SMILES C=CCOc1ccc(cc1C)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 C31H23N5O3S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N5O3S/c1-3-16-39-25-15-14-22(17-20(25)2)27-23(19-35(33-27)24-12-8-5-9-13-24)18-26-30(38)36-31(40-26)32-29(37)28(34-36)21-10-6-4-7-11-21/h3-15,17-19H,1,16H2,2H3/b26-18-InChIKey
CYXYWCSANHBPTP-ITYLOYPMSA-NSynonyms
(2Z)2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)6phenyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6PHENYL(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)2((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)6phenyl2Hthiazolo(32b)(124)triazine37dione
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)c1ccccc1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)OCC=C
InChI=1SC31H23N5O3Sc13163925151422(1720(25)2)2723(1935(3327)24128591324)182630(38)3631(4026)3229(37)28(3436)21106471121h3151719H116H22H3b2618
MFCD02993648
ZINC000097951168
ZINC97951168
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