Vitas-M small molecule compound

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

Catalog ID
STK703306
SMILES C=CCOc1ccc(cc1C)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 C34H31N5O2S MW 573.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O2S/c1-6-18-41-28-17-14-24(19-22(28)2)30-25(21-38(36-30)27-10-8-7-9-11-27)20-29-32(40)39-33(42-29)35-31(37-39)23-12-15-26(16-13-23)34(3,4)5/h6-17,19-21H,1,18H2,2-5H3/b29-20-
InChIKey
QGASIDBAJPPOKE-BRPDVVIDSA-N
Synonyms

(5Z)2(4tertbutylphenyl)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4TERTBUTYLPHENYL)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(4(tertbutyl)phenyl)thiazolo(32b)(124)triazol6(5H)one
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)C(C)(C)C)S3)C6=CC=CC=C6)OCC=C
InChI=1SC34H31N5O2Sc16184128171424(1922(28)2)3025(2138(3630)27108791127)202932(40)3933(4229)3531(3739)23121526(161323)34(34)5h6171921H118H225H3b2920
MFCD02985224
ZINC000097946626
ZINC97946626

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Available files

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