Vitas-M small molecule compound

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

Catalog ID
STK703319
SMILES CC(CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1Cl)Cl)c1ccccc1)C

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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 C32H27Cl2N5O2S MW 616.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27Cl2N5O2S/c1-19(2)13-14-41-27-12-9-21(15-20(27)3)29-22(18-38(36-29)24-7-5-4-6-8-24)16-28-31(40)39-32(42-28)35-30(37-39)25-11-10-23(33)17-26(25)34/h4-12,15-19H,13-14H2,1-3H3/b28-16-
InChIKey
OFFMMHDQRBGEAA-NTFVMDSBSA-N
Synonyms

(5Z)2(24dichlorophenyl)5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(24DICHLOROPHENYL)5((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)2(24dichlorophenyl)5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)thiazolo(32b)(124)triazol6(5H)one
CC(CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1Cl)Cl)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=C(C=C(C=C5)Cl)Cl)S3)C6=CC=CC=C6)OCCC(C)C
InChI=1SC32H27Cl2N5O2Sc119(2)1314412712921(1520(27)3)2922(1838(3629)247546824)162831(40)3932(4228)3530(3739)25111023(33)1726(25)34h4121519H1314H213H3b2816
MFCD02993504
ZINC000097946627
ZINC97946627

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Available files

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