Vitas-M small molecule compound

N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(3-oxopiperazin-1-yl)butanamide

Catalog ID
STK930831
SMILES COCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCNC(=O)C2)/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 C12H17N5O4S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N5O4S/c1-21-7-10-15-16-12(22-10)14-8(18)2-3-11(20)17-5-4-13-9(19)6-17/h2-7H2,1H3,(H,13,19)(H,14,16,18)
InChIKey
LFGRYSDKMGRDJP-UHFFFAOYSA-N
Synonyms
1219583-45-5
1219583455
COCC1=NN=C(S1)NC(=O)CCC(=O)N2CCNC(=O)C2
COCc1n(nH)c(=NC(=O)CCC(=O)N2CCNC(=O)C2)s1
InChI=1SC12H17N5O4Sc121710151612(2210)148(18)2311(20)1754139(19)617h27H21H3(H1319)(H141618)
MFCD18176766
N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)4oxo4(3oxopiperazin1yl)butanamide
ZINC000040287458
ZINC40287458

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Available files

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