Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(2-methylpropoxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK812599
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCC(C)C)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 C32H29N5O3S MW 563.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O3S/c1-4-39-26-14-10-22(11-15-26)29-24(19-36(34-29)25-8-6-5-7-9-25)18-28-31(38)37-32(41-28)33-30(35-37)23-12-16-27(17-13-23)40-20-21(2)3/h5-19,21H,4,20H2,1-3H3/b28-18-InChIKey
GYJYUFVJEONHPN-VEILYXNESA-NSynonyms
(5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4(2METHYLPROPOXY)PHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC(C)C)S3)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCC(C)C)c1ccccc1
InChI=1SC32H29N5O3Sc143926141022(111526)2924(1936(3429)258657925)182831(38)3732(4128)3330(3537)23121627(171323)402021(2)3h51921H420H213H3b2818
MFCD06265033
ZINC000097946482
ZINC97946482
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