Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704048
SMILES CCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1C)OCC)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 C32H29N5O3S MW 563.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O3S/c1-4-17-40-25-13-11-22(12-14-25)30-33-32-37(35-30)31(38)28(41-32)19-23-20-36(24-9-7-6-8-10-24)34-29(23)27-16-15-26(39-5-2)18-21(27)3/h6-16,18-20H,4-5,17H2,1-3H3/b28-19-InChIKey
GNWLLXIHYIZUQE-USHMODERSA-NSynonyms
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=C(C=C(C=C5)OCC)C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc(cc1C)OCC)c1ccccc1)s2
InChI=1SC32H29N5O3Sc14174025131122(121425)30333237(3530)31(38)28(4132)19232036(2497681024)3429(23)27161526(3952)1821(27)3h6161820H4517H213H3b2819
MFCD03534587
ZINC000097946669
ZINC97946669
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