Vitas-M small molecule compound
N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Catalog ID
STL315818
SMILES Fc1ccc(cc1)Cc1n[nH]c(n1)NC(=O)Cn1nc2CCCCCc2cc1=O
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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 C20H21FN6O2 MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN6O2/c21-15-8-6-13(7-9-15)10-17-22-20(25-24-17)23-18(28)12-27-19(29)11-14-4-2-1-3-5-16(14)26-27/h6-9,11H,1-5,10,12H2,(H2,22,23,24,25,28)InChIKey
MMZTZVIVNFSZNS-UHFFFAOYSA-NSynonyms
1442079-77-71442079777
C1CCC2=CC(=O)N(N=C2CC1)CC(=O)NC3=NNC(=N3)CC4=CC=C(C=C4)F
Fc1ccc(cc1)Cc1(nH)nc(n1)NC(=O)Cn1nc2CCCCCc2cc1=O
Fc1ccc(cc1)Cc1n(nH)c(n1)NC(=O)Cn1nc2CCCCCc2cc1=O
InChI=1SC20H21FN6O2c21158613(7915)10172220(252417)2318(28)122719(29)11144213516(14)2627h6911H151012H2(H22223242528)
MFCD28027478
N(3(4fluorobenzyl)1H124triazol5yl)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
N(5((4fluorophenyl)methyl)1H124triazol3yl)2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetamide
N(5(4fluorobenzyl)1H124triazol3yl)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
ZINC000095477315
ZINC95477315
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