Vitas-M small molecule compound
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-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
STK883235
SMILES COc1ccc(cc1OC)/C=C/c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc3c(c1)CC(O3)C)c1ccccc1)/s2
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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 C33H27N5O4S MW 589.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N5O4S/c1-20-15-23-17-22(11-13-26(23)42-20)31-24(19-37(36-31)25-7-5-4-6-8-25)18-29-32(39)38-33(43-29)34-30(35-38)14-10-21-9-12-27(40-2)28(16-21)41-3/h4-14,16-20H,15H2,1-3H3/b14-10+,29-18-InChIKey
FWIFZVZWLCXHMB-LFTYTBPDSA-NSynonyms
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3(2methyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C=CC6=CC(=C(C=C6)OC)OC)S4)C7=CC=CC=C7
COc1ccc(cc1OC)C=Cc1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc3c(c1)CC(O3)C)c1ccccc1)s2
InChI=1SC33H27N5O4Sc12015231722(111326(23)4220)3124(1937(3631)257546825)182932(39)3833(4329)3430(3538)14102191227(402)28(1621)413h4141620H15H213H3b1410+2918
MFCD06646751
ZINC000097946806
ZINC000097946807
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.