Vitas-M small molecule compound
(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797578
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)ncn2)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 C25H23N5O2S MW 457.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O2S/c1-17(2)12-13-32-21-10-8-18(9-11-21)23-19(15-29(28-23)20-6-4-3-5-7-20)14-22-24(31)30-25(33-22)26-16-27-30/h3-11,14-17H,12-13H2,1-2H3/b22-14-InChIKey
HLYSCKAESFWOCW-HMAPJEAMSA-NSynonyms
(5Z)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)thiazolo(32b)(124)triazol6(5H)one
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC=N4)S3)C5=CC=CC=C5
CC(CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)ncn2)c1ccccc1)C
InChI=1SC25H23N5O2Sc117(2)1213322110818(91121)2319(1529(2823)206435720)142224(31)3025(3322)26162730h3111417H1213H212H3b2214
MFCD02996178
ZINC000001152317
ZINC01152317
ZINC1152317
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