Vitas-M small molecule compound

(5Z)-2-(4-butoxyphenyl)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK706919
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc3c(c1)CC(O3)C)c1ccccc1)/c2=O

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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/c1-3-4-16-40-27-13-10-22(11-14-27)31-34-33-38(36-31)32(39)29(42-33)19-25-20-37(26-8-6-5-7-9-26)35-30(25)23-12-15-28-24(18-23)17-21(2)41-28/h5-15,18-21H,3-4,16-17H2,1-2H3/b29-19-
InChIKey
NFLUDXLSMZMICL-CEUNXORHSA-N
Synonyms

(5Z)2(4butoxyphenyl)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(2METHYL23DIHYDRO1BENZOFURAN5YL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)2(4butoxyphenyl)5((3(2methyl23dihydrobenzofuran5yl)1phenyl1Hpyrazol4yl)methylene)thiazolo(32b)(124)triazol6(5H)one
2(4BUTOXYPHENYL)5((3(2METHYL(23DIHYDROBENZO(B)FURAN5YL))1PHENYLPYRAZOL4YL)METHYLENE)13THIAZOLIDINO(32D)124TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC6=C(C=C5)OC(C6)C)C7=CC=CC=C7)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc3c(c1)CC(O3)C)c1ccccc1)c2=O
InChI=1SC33H29N5O3Sc134164027131022(111427)31343338(3631)32(39)29(4233)19252037(268657926)3530(25)2312152824(1823)1721(2)4128h5151821H341617H212H3b2919
MFCD03534780
ZINC000001877167
ZINC000001877169

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Available files

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