Vitas-M small molecule compound
{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}[(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK302093
SMILES CC(c1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)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 C33H28F3N5OS2 MW 631.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28F3N5OS2/c1-19(2)20-10-12-21(13-11-20)25-17-28(33(34,35)36)40-29(37-25)18-26(38-40)32(42)41-31(27-9-5-15-44-27)24-8-3-6-22(30(24)39-41)16-23-7-4-14-43-23/h4-5,7,9-19,24,31H,3,6,8H2,1-2H3/b22-16+InChIKey
IXUBZEIOAGFPNN-CJLVFECKSA-NSynonyms
512814-95-8(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)((7E)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)((7E)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512814958
CC(C)C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4C(C5CCCC(=CC6=CC=CS6)C5=N4)C7=CC=CS7
CC(c1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)C
InChI=1SC33H28F3N5OS2c119(2)20101221(131120)251728(33(3435)36)4029(3725)1826(3840)32(42)4131(2795154427)2483622(30(24)3941)162374144323h4579192431H368H212H3b2216+
MFCD03467030
ZINC000008455096
ZINC000008455099
Check stock
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Check stock on Vitas-MAvailable files
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