Vitas-M small molecule compound

N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide

Catalog ID
STK079629
SMILES O=C(NC(C)(C)C)CSc1nnc(s1)NC(=O)c1ccccc1Cl

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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 C15H17ClN4O2S2 MW 384.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClN4O2S2/c1-15(2,3)18-11(21)8-23-14-20-19-13(24-14)17-12(22)9-6-4-5-7-10(9)16/h4-7H,8H2,1-3H3,(H,18,21)(H,17,19,22)
InChIKey
FIPVKWBCTOXXMJ-UHFFFAOYSA-N
Synonyms
532418-23-8
532418238
CC(C)(C)NC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=CC=C2Cl
InChI=1SC15H17ClN4O2S2c115(23)1811(21)82314201913(2414)1712(22)9645710(9)16h47H8H213H3(H1821)(H171922)
MFCD03356882
N((2Z)5((2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2(3H)YLIDENE)2CHLOROBENZAMIDE
N(5((2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2YL)2CHLOROBENZAMIDE
N(5((2(tertbutylamino)2oxoethyl)thio)134thiadiazol2yl)2chlorobenzamide
N(5(2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL134THIADIAZOL2YL)2CHLOROBENZAMIDE
N(TERTBUTYL)2(5((2CHLOROPHENYL)CARBONYLAMINO)(134THIADIAZOL2YLTHIO))ACETAMIDE
O=C(NC(C)(C)C)CSc1nnc(s1)NC(=O)c1ccccc1Cl
STK079629
ZINC04575110
ZINC4575110

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Available files

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