Vitas-M small molecule compound

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

Catalog ID
STK545477
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

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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 C23H19N3O3S3 MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S3/c1-29-21(28)16-9-11-18(12-10-16)24-20(27)14-31-23-26-25-22(32-23)30-13-17-7-4-6-15-5-2-3-8-19(15)17/h2-12H,13-14H2,1H3,(H,24,27)
InChIKey
IFFCKTPLVFNZCX-UHFFFAOYSA-N
Synonyms
613226-22-5
613226225
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43
InChI=1SC23H19N3O3S3c12921(28)1691118(121016)2420(27)143123262522(3223)30131774615523819(15)17h212H1314H21H3(H2427)
methyl4((((5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5((NAPHTHALEN1YLMETHYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((5((naphthalen1ylmethyl)thio)134thiadiazol2yl)thio)acetamido)benzoate
METHYL4(2(5(NAPHTHYLMETHYLTHIO)134THIADIAZOL2YLTHIO)ACETYLAMINO)BENZOATE
MFCD03222922
ZINC000013618876
ZINC13618876

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Available files

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