Vitas-M small molecule compound

N-(bicyclo[2.2.1]hept-2-yl)-2-[(1-oxophthalazin-2(1H)-yl)acetyl]hydrazinecarbothioamide

Catalog ID
STK328873
SMILES O=C(Cn1ncc2c(c1=O)cccc2)NNC(=S)NC1CC2CC1CC2

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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 C18H21N5O2S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O2S/c24-16(10-23-17(25)14-4-2-1-3-13(14)9-19-23)21-22-18(26)20-15-8-11-5-6-12(15)7-11/h1-4,9,11-12,15H,5-8,10H2,(H,21,24)(H2,20,22,26)
InChIKey
JNWDNRBBPAVRMA-UHFFFAOYSA-N
Synonyms
1005151-20-1
1(3BICYCLO(221)HEPTANYL)3((2(1OXOPHTHALAZIN2YL)ACETYL)AMINO)THIOUREA
1005151201
C1CC2CC1CC2NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3
InChI=1SC18H21N5O2Sc2416(102317(25)14421313(14)91923)212218(26)20158115612(15)711h149111215H5810H2(H2124)(H2202226)
MFCD05974823
N((1S2S4S)BICYCLO(221)HEPT2YL)2((1OXOPHTHALAZIN2(1H)YL)ACETYL)HYDRAZINECARBOTHIOAMIDE
N((1S4R)bicyclo(221)heptan2yl)2(2(1oxophthalazin2(1H)yl)acetyl)hydrazinecarbothioamide
N(bicyclo(221)hept2yl)2((1oxophthalazin2(1H)yl)acetyl)hydrazinecarbothioamide
ZINC000101929935
ZINC000101929939

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.