Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(prop-2-en-1-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
STK800663
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1)c1ccccc1
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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 C32H25N5O2S MW 543.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25N5O2S/c1-3-18-39-27-16-15-24(19-22(27)2)30-25(21-36(35-30)26-12-8-5-9-13-26)20-28-31(38)37-32(40-28)33-29(34-37)17-14-23-10-6-4-7-11-23/h3-17,19-21H,1,18H2,2H3/b17-14+,28-20-InChIKey
KAPROJAPCAFBRL-LYHITVHMSA-NSynonyms
(5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=CC=C5)S3)C6=CC=CC=C6)OCC=C
InChI=1SC32H25N5O2Sc13183927161524(1922(27)2)3025(2136(3530)26128591326)202831(38)3732(4028)3329(3437)171423106471123h3171921H118H22H3b1714+2820
MFCD06642914
ZINC000097946720
ZINC97946720
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