Vitas-M small molecule compound

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

Catalog ID
STK703065
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1Cl)Cl)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 C30H23Cl2N5O2S MW 588.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl2N5O2S/c1-3-13-39-25-12-9-19(14-18(25)2)27-20(17-36(34-27)22-7-5-4-6-8-22)15-26-29(38)37-30(40-26)33-28(35-37)23-11-10-21(31)16-24(23)32/h4-12,14-17H,3,13H2,1-2H3/b26-15-
InChIKey
RYWMAVGVOHVRLG-YSMPRRRNSA-N
Synonyms

(5Z)2(24dichlorophenyl)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(24DICHLOROPHENYL)5((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)2(24dichlorophenyl)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=C(C=C(C=C5)Cl)Cl)S3)C6=CC=CC=C6)C
CCCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1Cl)Cl)c1ccccc1
InChI=1SC30H23Cl2N5O2Sc1313392512919(1418(25)2)2720(1736(3427)227546822)152629(38)3730(4026)3328(3537)23111021(31)1624(23)32h4121417H313H212H3b2615
MFCD02996670
ZINC000100838888
ZINC100838888

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Available files

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