Vitas-M small molecule compound
(5Z)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704096
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)OC(C)C)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 C32H29N5O3S MW 563.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O3S/c1-4-18-39-26-14-12-23(13-15-26)30-33-32-37(35-30)31(38)28(41-32)19-24-20-36(25-8-6-5-7-9-25)34-29(24)22-10-16-27(17-11-22)40-21(2)3/h5-17,19-21H,4,18H2,1-3H3/b28-19-InChIKey
MRUJNZTXKQPSAG-USHMODERSA-NSynonyms
(5Z)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OC(C)C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)c2=O
InChI=1SC32H29N5O3Sc14183926141223(131526)30333237(3530)31(38)28(4132)19242036(258657925)3429(24)22101627(171122)4021(2)3h5171921H418H213H3b2819
MFCD03534827
ZINC000097946672
ZINC97946672
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