Vitas-M small molecule compound

N-[(3-nitrophenyl)carbamothioyl]butanamide

Catalog ID
STK025301
SMILES CCCC(=O)NC(=S)Nc1cccc(c1)[N+](=O)[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 C11H13N3O3S MW 267.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3O3S/c1-2-4-10(15)13-11(18)12-8-5-3-6-9(7-8)14(16)17/h3,5-7H,2,4H2,1H3,(H2,12,13,15,18)
InChIKey
JAFPFLJPYBGTTK-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(=S)NC1=CC(=CC=C1)(N+)(=O)(O)
CCCC(=O)NC(=S)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC11H13N3O3Sc12410(15)1311(18)1285369(78)14(16)17h357H24H21H3(H212131518)
MFCD03032183
N((3NITROPHENYL)CARBAMOTHIOYL)BUTANAMIDE
STK025301
ZINC000000456231
ZINC00456231
ZINC456231

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Available files

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