Vitas-M small molecule compound

N-(4-methylphenyl)-2-[(1-oxophthalazin-2(1H)-yl)acetyl]hydrazinecarbothioamide

Catalog ID
STK777320
SMILES O=C(Cn1ncc2c(c1=O)cccc2)NNC(=S)Nc1ccc(cc1)C

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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 C18H17N5O2S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O2S/c1-12-6-8-14(9-7-12)20-18(26)22-21-16(24)11-23-17(25)15-5-3-2-4-13(15)10-19-23/h2-10H,11H2,1H3,(H,21,24)(H2,20,22,26)
InChIKey
GYFANKIEQZZVAL-UHFFFAOYSA-N
Synonyms

1(4METHYLPHENYL)3((2(1OXOPHTHALAZIN2YL)ACETYL)AMINO)THIOUREA
CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2
InChI=1SC18H17N5O2Sc1126814(9712)2018(26)222116(24)112317(25)15532413(15)101923h210H11H21H3(H2124)(H2202226)
MFCD05260318
N(4methylphenyl)2((1oxophthalazin2(1H)yl)acetyl)hydrazinecarbothioamide
ZINC000001127096
ZINC01127096
ZINC1127096

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Available files

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