Vitas-M small molecule compound

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-nitrophenyl)acetamide

Catalog ID
STK320501
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nc2c(s1)cccc2

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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 C16H13N3O3S2 MW 359.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S2/c1-10-6-7-11(8-13(10)19(21)22)17-15(20)9-23-16-18-12-4-2-3-5-14(12)24-16/h2-8H,9H2,1H3,(H,17,20)
InChIKey
IJQSUJPNBIBPBE-UHFFFAOYSA-N
Synonyms
444164-98-1
2(13benzothiazol2ylsulfanyl)N(4methyl3nitrophenyl)acetamide
444164981
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)(N+)(=O)(O)
InChI=1SC16H13N3O3S2c1106711(813(10)19(21)22)1715(20)923161812423514(12)2416h28H9H21H3(H1720)
MFCD05811506
O=C(Nc1ccc(c(c1)(N+)(=O)(O))C)CSc1nc2c(s1)cccc2
ZINC000001139849
ZINC01139849
ZINC1139849

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Available files

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