Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-fluorophenyl)-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
STK904870
SMILES CCCCOc1ccc(cc1F)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 C32H26FN5O2S MW 563.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26FN5O2S/c1-2-3-18-40-27-16-15-23(19-26(27)33)30-24(21-37(36-30)25-12-8-5-9-13-25)20-28-31(39)38-32(41-28)34-29(35-38)17-14-22-10-6-4-7-11-22/h4-17,19-21H,2-3,18H2,1H3/b17-14+,28-20-InChIKey
RLYFJNKWNCSLSQ-LYHITVHMSA-NSynonyms
(5Z)5((3(4butoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4butoxy3fluorophenyl)1phenylpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=CC=C5)S3)C6=CC=CC=C6)F
CCCCOc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1
InChI=1SC32H26FN5O2Sc123184027161523(1926(27)33)3024(2137(3630)25128591325)202831(39)3832(4128)3429(3538)171422106471122h4171921H2318H21H3b1714+2820
MFCD07480816
ZINC000097947349
ZINC97947349
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