Vitas-M small molecule compound

N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylquinoline-4-carboxamide

Catalog ID
STK659549
SMILES COCc1n[nH]/c(=N\C(=O)c2cc(C)nc3c2cccc3)/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 C15H14N4O2S MW 314.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O2S/c1-9-7-11(10-5-3-4-6-12(10)16-9)14(20)17-15-19-18-13(22-15)8-21-2/h3-7H,8H2,1-2H3,(H,17,19,20)
InChIKey
FHEWKOGWPDVMSG-UHFFFAOYSA-N
Synonyms
1144474-33-8
1144474338
CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)COC
COCc1n(nH)c(=NC(=O)c2cc(C)nc3c2cccc3)s1
InChI=1SC15H14N4O2Sc19711(10534612(10)169)14(20)1715191813(2215)8212h37H8H212H3(H171920)
MFCD18168770
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)2methylquinoline4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)2methylquinoline4carboxamide
ZINC000031808006
ZINC31808006

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Available files

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