Vitas-M small molecule compound
(5Z)-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817114
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)C)OCCC)c1ccccc1)/c2=O
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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 C33H31N5O3S MW 577.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O3S/c1-4-17-40-27-14-11-23(12-15-27)31-34-33-38(36-31)32(39)29(42-33)20-25-21-37(26-9-7-6-8-10-26)35-30(25)24-13-16-28(22(3)19-24)41-18-5-2/h6-16,19-21H,4-5,17-18H2,1-3H3/b29-20-InChIKey
MSRJFEYIRRQHSF-BRPDVVIDSA-NSynonyms
(5Z)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCCC)C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)C)OCCC)c1ccccc1)c2=O
InChI=1SC33H31N5O3Sc14174027141123(121527)31343338(3631)32(39)29(4233)20252137(2697681026)3530(25)24131628(22(3)1924)411852h6161921H451718H213H3b2920
MFCD03534533
ZINC000097946595
ZINC97946595
Check stock
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