Vitas-M small molecule compound

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

Catalog ID
STK703047
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)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 C34H33N5O2S MW 575.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O2S/c1-5-6-20-41-28-18-14-23(15-19-28)30-25(22-38(36-30)27-10-8-7-9-11-27)21-29-32(40)39-33(42-29)35-31(37-39)24-12-16-26(17-13-24)34(2,3)4/h7-19,21-22H,5-6,20H2,1-4H3/b29-21-
InChIKey
HZLDUESOCGNUTO-ANYBSYGZSA-N
Synonyms

(5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4tertbutylphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4TERTBUTYLPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2(4(tertbutyl)phenyl)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)C(C)(C)C)S3)C6=CC=CC=C6
CCCCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)c1ccccc1
InChI=1SC34H33N5O2Sc156204128181423(151928)3025(2238(3630)27108791127)212932(40)3933(4229)3531(3739)24121626(171324)34(23)4h7192122H5620H214H3b2921
MFCD02994306
ZINC000100838666
ZINC100838666

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Available files

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