Vitas-M small molecule compound

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

Catalog ID
STK735875
SMILES COC(=O)c1cccc(c1)CNC(=O)CSc1nnc(s1)N

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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 C13H14N4O3S2 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S2/c1-20-11(19)9-4-2-3-8(5-9)6-15-10(18)7-21-13-17-16-12(14)22-13/h2-5H,6-7H2,1H3,(H2,14,16)(H,15,18)
InChIKey
DNWWLMJFWJSJIO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)CNC(=O)CSC2=NN=C(S2)N
InChI=1SC13H14N4O3S2c12011(19)94238(59)61510(18)72113171612(14)2213h25H67H21H3(H21416)(H1518)
methyl3(((((5amino134thiadiazol2yl)sulfanyl)acetyl)amino)methyl)benzoate
METHYL3(((2((5AMINO134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)METHYL)BENZOATE
MFCD05855395
ZINC000004694590
ZINC04694590
ZINC4694590

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Available files

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