Vitas-M small molecule compound

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

Catalog ID
STK818211
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cccc(c1)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 C30H25N5O2S MW 519.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O2S/c1-4-37-24-13-14-25(20(3)16-24)27-22(18-34(32-27)23-11-6-5-7-12-23)17-26-29(36)35-30(38-26)31-28(33-35)21-10-8-9-19(2)15-21/h5-18H,4H2,1-3H3/b26-17-
InChIKey
YKWRCIGXORZFTR-ONUIUJJFSA-N
Synonyms
956611-37-3
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(3methylphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(3METHYLPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(mtolyl)thiazolo(32b)(124)triazol6(5H)one
956611373
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC(=CC=C5)C)S3)C6=CC=CC=C6)C
CCOc1ccc(c(c1)C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccc(c1)C)c1ccccc1
InChI=1SC30H25N5O2Sc143724131425(20(3)1624)2722(1834(3227)23116571223)172629(36)3530(3826)3128(3335)21108919(2)1521h518H4H213H3b2617
MFCD04023030
ZINC000013748688
ZINC13748688

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Available files

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