Vitas-M small molecule compound
(5Z)-2-(4-bromophenyl)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797185
SMILES CCCCOc1ccc(cc1C)c1nn(c(c1)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)Br)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 C31H26BrN5O2S MW 612.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN5O2S/c1-3-4-16-39-27-15-12-22(17-20(27)2)26-18-25(36(34-26)24-8-6-5-7-9-24)19-28-30(38)37-31(40-28)33-29(35-37)21-10-13-23(32)14-11-21/h5-15,17-19H,3-4,16H2,1-2H3/b28-19-InChIKey
AUYKYWOXZLQKTF-USHMODERSA-NSynonyms
(5Z)2(4bromophenyl)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol5yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BROMOPHENYL)5((5(4BUTOXY3METHYLPHENYL)2PHENYLPYRAZOL3YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)Br)S3)C6=CC=CC=C6)C
CCCCOc1ccc(cc1C)c1nn(c(c1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Br)c1ccccc1
InChI=1SC31H26BrN5O2Sc134163927151222(1720(27)2)261825(36(3426)248657924)192830(38)3731(4028)3329(3537)21101323(32)141121h5151719H3416H212H3b2819
MFCD03225900
ZINC000097946104
ZINC97946104
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