Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800666
SMILES CC(Oc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1)c1ccccc1)C
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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 C32H27N5O2S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O2S/c1-21(2)39-27-16-15-24(18-22(27)3)30-25(20-36(35-30)26-12-8-5-9-13-26)19-28-31(38)37-32(40-28)33-29(34-37)17-14-23-10-6-4-7-11-23/h4-21H,1-3H3/b17-14+,28-19-InChIKey
ZMMPHDICMMYNSD-GPDBOJTQSA-NSynonyms
(5Z)5((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3methyl4propan2yloxyphenyl)1phenylpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
CC(Oc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=CC=C5)S3)C6=CC=CC=C6)OC(C)C
InChI=1SC32H27N5O2Sc121(2)3927161524(1822(27)3)3025(2036(3530)26128591326)192831(38)3732(4028)3329(3437)171423106471123h421H13H3b1714+2819
MFCD06642917
ZINC000097946723
ZINC97946723
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