Vitas-M small molecule compound
(5Z)-5-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK799813
SMILES COc1cc(cc(c1OC)OC)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccco1)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 C27H21N5O5S MW 527.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O5S/c1-34-20-12-16(13-21(35-2)24(20)36-3)25-28-27-32(30-25)26(33)22(38-27)14-17-15-31(18-8-5-4-6-9-18)29-23(17)19-10-7-11-37-19/h4-15H,1-3H3/b22-14-InChIKey
UPNNOKIDGQRKFA-HMAPJEAMSA-NSynonyms
(5Z)5((3(furan2yl)1phenyl1Hpyrazol4yl)methylidene)2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(FURAN2YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(345TRIMETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CO5)C6=CC=CC=C6)SC3=N2
COc1cc(cc(c1OC)OC)c1nn2c(n1)sc(=Cc1cn(nc1c1ccco1)c1ccccc1)c2=O
InChI=1SC27H21N5O5Sc134201216(1321(352)24(20)363)25282732(3025)26(33)22(3827)14171531(188546918)2923(17)19107113719h415H13H3b2214
MFCD04446969
ZINC000003637586
ZINC3637586
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