Vitas-M small molecule compound

methyl 5-chloro-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL021827
SMILES COC(=O)c1cc(Cl)ccc1NC(=O)CSc1nnnn1c1ccccc1

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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 C17H14ClN5O3S MW 403.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O3S/c1-26-16(25)13-9-11(18)7-8-14(13)19-15(24)10-27-17-20-21-22-23(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,24)
InChIKey
DIEXSXPECVNDGG-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=NN2C3=CC=CC=C3
InChI=1SC17H14ClN5O3Sc12616(25)13911(18)7814(13)1915(24)10271720212223(17)125324612h29H10H21H3(H1924)
methyl5chloro2((((1phenyl1Htetrazol5yl)sulfanyl)acetyl)amino)benzoate
METHYL5CHLORO2((2(1PHENYLTETRAZOL5YL)SULFANYLACETYL)AMINO)BENZOATE
MFCD06438638
ZINC000004540078
ZINC04540078
ZINC4540078

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Available files

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