Vitas-M small molecule compound
N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Catalog ID
STL163243
SMILES COCc1n[nH]/c(=N\C(=O)Cn2nc3CCCCCc3cc2=O)/s1
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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 C15H19N5O3S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N5O3S/c1-23-9-13-17-18-15(24-13)16-12(21)8-20-14(22)7-10-5-3-2-4-6-11(10)19-20/h7H,2-6,8-9H2,1H3,(H,16,18,21)InChIKey
VIWURRCVRRKTQD-UHFFFAOYSA-NSynonyms
1282118-48-21282118482
COCC1=NN=C(S1)NC(=O)CN2C(=O)C=C3CCCCCC3=N2
COCc1n(nH)c(=NC(=O)Cn2nc3CCCCCc3cc2=O)s1
InChI=1SC15H19N5O3Sc123913171815(2413)1612(21)82014(22)7105324611(10)1920h7H2689H21H3(H161821)
MFCD20759964
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
N(5(methoxymethyl)134thiadiazol2yl)2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetamide
ZINC000061719051
ZINC61719051
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