Vitas-M small molecule compound

2-(3-nitrophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

Catalog ID
STK820859
SMILES [O-][N+](=O)c1cccc(c1)c1nn2c(n1)SCCC2=O

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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 C11H8N4O3S MW 276.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N4O3S/c16-9-4-5-19-11-12-10(13-14(9)11)7-2-1-3-8(6-7)15(17)18/h1-3,6H,4-5H2
InChIKey
KPOMMFMBFLCHGV-UHFFFAOYSA-N
Synonyms
373371-83-6
(O)(N+)(=O)c1cccc(c1)c1nn2c(n1)SCCC2=O
2(3NITROPHENYL)56DIHYDRO(124)TRIAZOLO(51B)(13)THIAZIN7ONE
2(3nitrophenyl)56dihydro7H(124)triazolo(51b)(13)thiazin7one
2(3nitrophenyl)5H(124)triazolo(51b)(13)thiazin7(6H)one
373371836
C1CSC2=NC(=NN2C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC11H8N4O3Sc1694519111210(1314(9)11)72138(67)15(17)18h136H45H2
MFCD01946849
ZINC000000501940
ZINC00501940
ZINC501940

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Available files

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