Vitas-M small molecule compound
(2Z)-6-benzyl-2-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK703069
SMILES CCCOc1ccc(cc1C)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 C32H27N5O3S MW 561.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O3S/c1-3-16-40-27-15-14-23(17-21(27)2)29-24(20-36(35-29)25-12-8-5-9-13-25)19-28-31(39)37-32(41-28)33-30(38)26(34-37)18-22-10-6-4-7-11-22/h4-15,17,19-20H,3,16,18H2,1-2H3/b28-19-InChIKey
MZDGBPUTCNKKQR-USHMODERSA-NSynonyms
(2Z)6benzyl2((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6BENZYL2((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)6benzyl2((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2Hthiazolo(32b)(124)triazine37dione
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C6=CC=CC=C6)C
CCCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1
InChI=1SC32H27N5O3Sc13164027151423(1721(27)2)2924(2036(3529)25128591325)192831(39)3732(4128)3330(38)26(3437)1822106471122h415171920H31618H212H3b2819
MFCD02989674
ZINC000100725013
ZINC100725013
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