Vitas-M small molecule compound

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

Catalog ID
STK811111
SMILES CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccncc1)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 C28H22N6O2S MW 506.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O2S/c1-3-36-23-10-9-20(15-18(23)2)25-21(17-33(31-25)22-7-5-4-6-8-22)16-24-27(35)34-28(37-24)30-26(32-34)19-11-13-29-14-12-19/h4-17H,3H2,1-2H3/b24-16-
InChIKey
YHIPXXZQIXBILQ-JLPGSUDCSA-N
Synonyms

(5Z)5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(pyridin4yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4ETHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PYRIDIN4YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(pyridin4yl)thiazolo(32b)(124)triazol6(5H)one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=NC=C5)S3)C6=CC=CC=C6)C
CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccncc1)c1ccccc1
InChI=1SC28H22N6O2Sc13362310920(1518(23)2)2521(1733(3125)227546822)162427(35)3428(3724)3026(3234)19111329141219h417H3H212H3b2416
MFCD02993749
ZINC000013809769
ZINC13809769

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Available files

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