Vitas-M small molecule compound
N-[(2E)-5-cyclobutyl-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
STL154026
SMILES O=C(Cn1nc2CCCCCc2cc1=O)/N=c/1\[nH]nc(s1)C1CCC1
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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 C17H21N5O2S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O2S/c23-14(18-17-20-19-16(25-17)11-6-4-7-11)10-22-15(24)9-12-5-2-1-3-8-13(12)21-22/h9,11H,1-8,10H2,(H,18,20,23)InChIKey
BHMWANJOCLJWAZ-UHFFFAOYSA-NSynonyms
1282126-63-91282126639
C1CCC2=CC(=O)N(N=C2CC1)CC(=O)NC3=NN=C(S3)C4CCC4
InChI=1SC17H21N5O2Sc2314(1817201916(2517)1164711)102215(24)9125213813(12)2122h911H1810H2(H182023)
MFCD20756857
N((2E)5cyclobutyl134thiadiazol2(3H)ylidene)2(3oxo356789hexahydro2Hcyclohepta(c)pyridazin2yl)acetamide
N(5cyclobutyl134thiadiazol2yl)2(3oxo6789tetrahydro5Hcyclohepta(c)pyridazin2yl)acetamide
O=C(Cn1nc2CCCCCc2cc1=O)N=c1(nH)nc(s1)C1CCC1
ZINC000061721764
ZINC61721764
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