Vitas-M small molecule compound

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

Catalog ID
STK209087
SMILES COC(=O)c1ccc(cc1)NC(=O)C(Sc1nnc(s1)N)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 C13H14N4O3S2 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S2/c1-7(21-13-17-16-12(14)22-13)10(18)15-9-5-3-8(4-6-9)11(19)20-2/h3-7H,1-2H3,(H2,14,16)(H,15,18)
InChIKey
IPFPFCWTYAFHKY-UHFFFAOYSA-N
Synonyms
826998-36-1
826998361
CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(S2)N
InChI=1SC13H14N4O3S2c17(2113171612(14)2213)10(18)159538(469)11(19)202h37H12H3(H21416)(H1518)
METHYL4((2((5AMINO134THIADIAZOL2YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
METHYL4(2((5AMINO134THIADIAZOL2YL)SULFANYL)PROPANOYLAMINO)BENZOATE
MFCD06623396
ZINC000004776613
ZINC000004776615

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Available files

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