Vitas-M small molecule compound

methyl N-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate

Catalog ID
STK780936
SMILES COC(=O)C(NC(=O)CSc1nnc(s1)N)CSCc1ccccc1

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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 C15H18N4O3S3 MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O3S3/c1-22-13(21)11(8-23-7-10-5-3-2-4-6-10)17-12(20)9-24-15-19-18-14(16)25-15/h2-6,11H,7-9H2,1H3,(H2,16,18)(H,17,20)
InChIKey
HRNSWAOOQKDRIY-UHFFFAOYSA-N
Synonyms

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CSC2=NN=C(S2)N
InChI=1SC15H18N4O3S3c12213(21)11(8237105324610)1712(20)92415191814(16)2515h2611H79H21H3(H21618)(H1720)
METHYL2((2((5AMINO134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)3BENZYLSULFANYLPROPANOATE
methylN(((5amino134thiadiazol2yl)sulfanyl)acetyl)Sbenzylcysteinate
MFCD06014042
PROPIONICACID2(2(5AMINO(134)THIADIAZOL2YLSULFANYL)ACETYLAMINO)3BENZYLSULFANYLMETHYLESTER
ZINC000004718104
ZINC000004718105

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Available files

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