Vitas-M small molecule compound
N-{3-[2-(4-methoxyphenyl)ethyl]-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
STL315720
SMILES COc1ccc(cc1)CCc1n[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 C22H26N6O3 MW 422.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O3/c1-31-17-10-7-15(8-11-17)9-12-19-23-22(26-25-19)24-20(29)14-28-21(30)13-16-5-3-2-4-6-18(16)27-28/h7-8,10-11,13H,2-6,9,12,14H2,1H3,(H2,23,24,25,26,29)InChIKey
RLWQVZXKXBPUBD-UHFFFAOYSA-NSynonyms
1574493-81-41574493814
COC1=CC=C(C=C1)CCC2=NC(=NN2)NC(=O)CN3C(=O)C=C4CCCCCC4=N3
COc1ccc(cc1)CCc1(nH)nc(n1)NC(=O)Cn1nc2CCCCCc2cc1=O
COc1ccc(cc1)CCc1n(nH)c(n1)NC(=O)Cn1nc2CCCCCc2cc1=O
InChI=1SC22H26N6O3c1311710715(81117)912192322(262519)2420(29)142821(30)13165324618(16)2728h78101113H2691214H21H3(H22324252629)
MFCD28027422
N(3(2(4methoxyphenyl)ethyl)1H124triazol5yl)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
N(5(2(4methoxyphenyl)ethyl)1H124triazol3yl)2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetamide
N(5(4methoxyphenethyl)1H124triazol3yl)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
ZINC000095477252
ZINC95477252
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