Vitas-M small molecule compound

(5Z)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK702911
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cccnc1)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 C30H26N6O2S MW 534.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N6O2S/c1-20(2)14-16-38-25-12-10-21(11-13-25)27-23(19-35(33-27)24-8-4-3-5-9-24)17-26-29(37)36-30(39-26)32-28(34-36)22-7-6-15-31-18-22/h3-13,15,17-20H,14,16H2,1-2H3/b26-17-
InChIKey
OMYVVOAECIPDPO-ONUIUJJFSA-N
Synonyms

(5Z)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(pyridin3yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PYRIDIN3YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)2(pyridin3yl)thiazolo(32b)(124)triazol6(5H)one
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CN=CC=C5)S3)C6=CC=CC=C6
CC(CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccnc1)c1ccccc1)C
InChI=1SC30H26N6O2Sc120(2)14163825121021(111325)2723(1935(3327)248435924)172629(37)3630(3926)3228(3436)227615311822h313151720H1416H212H3b2617
MFCD02986804
ZINC000097951055
ZINC97951055

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Available files

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