Vitas-M small molecule compound
2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK784982
SMILES Fc1ccc(cc1)c1[nH]nc(c1)c1nc2n(n1)cnc1c2c2CCCCCc2s1
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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 C21H17FN6S MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN6S/c22-13-8-6-12(7-9-13)15-10-16(26-25-15)19-24-20-18-14-4-2-1-3-5-17(14)29-21(18)23-11-28(20)27-19/h6-11H,1-5H2,(H,25,26)InChIKey
YSLZTNCVGJLWIC-UHFFFAOYSA-NSynonyms
1027328-74-01027328740
2(5(4fluorophenyl)1Hpyrazol3yl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)C5=CC(=NN5)C6=CC=C(C=C6)F
Fc1ccc(cc1)c1(nH)nc(c1)c1nc2n(n1)cnc1c2c2CCCCCc2s1
InChI=1SC21H17FN6Sc22138612(7913)151016(262515)19242018144213517(14)2921(18)231128(20)2719h611H15H2(H2526)
MFCD07657487
ZINC000008996976
ZINC08996976
ZINC8996976
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