Vitas-M small molecule compound
(2Z)-6-benzyl-2-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK703045
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)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/c1-2-17-39-25-15-13-22(14-16-25)28-23(20-35(34-28)24-11-7-4-8-12-24)19-27-30(38)36-31(40-27)32-29(37)26(33-36)18-21-9-5-3-6-10-21/h2-16,19-20H,1,17-18H2/b27-19-InChIKey
QGUQZYCZDVZHSS-DIBXZPPDSA-NSynonyms
(2Z)6benzyl2((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6BENZYL2((1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)2((3(4(allyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)6benzyl2Hthiazolo(32b)(124)triazine37dione
C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C6=CC=CC=C6
C=CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1
InChI=1SC31H23N5O3Sc12173925151322(141625)2823(2035(3428)24117481224)192730(38)3631(4027)3229(37)26(3336)182195361021h2161920H11718H2b2719
MFCD02997235
ZINC000100725012
ZINC100725012
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