Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904961
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)OC)OC)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 C32H29N5O4S MW 579.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O4S/c1-4-5-17-41-25-14-11-21(12-15-25)30-33-32-37(35-30)31(38)28(42-32)19-23-20-36(24-9-7-6-8-10-24)34-29(23)22-13-16-26(39-2)27(18-22)40-3/h6-16,18-20H,4-5,17H2,1-3H3/b28-19-InChIKey
KLENULKGSIRKGY-USHMODERSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)OC)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)OC)OC)c1ccccc1)c2=O
InChI=1SC32H29N5O4Sc145174125141121(121525)30333237(3530)31(38)28(4232)19232036(2497681024)3429(23)22131626(392)27(1822)403h6161820H4517H213H3b2819
MFCD03497684
ZINC000097947367
ZINC97947367
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