Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904949
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OCCCC)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 C34H33N5O3S MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O3S/c1-3-5-20-41-28-16-12-24(13-17-28)31-26(23-38(36-31)27-10-8-7-9-11-27)22-30-33(40)39-34(43-30)35-32(37-39)25-14-18-29(19-15-25)42-21-6-4-2/h7-19,22-23H,3-6,20-21H2,1-2H3/b30-22-InChIKey
JNMLZKLNPKCTFE-SWKFRHMKSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4butoxyphenyl)5((3(4butoxyphenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCCCC)S3)C6=CC=CC=C6
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OCCCC)c1ccccc1)s2
InChI=1SC34H33N5O3Sc135204128161224(131728)3126(2338(3631)27108791127)223033(40)3934(4330)3532(3739)25141829(191525)4221642h7192223H362021H212H3b3022
MFCD03534710
ZINC000097947356
ZINC97947356
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