Vitas-M small molecule compound

N-{2-[(2-chloro-6-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

Catalog ID
STK021003
SMILES CCC(=O)Nc1ccc2c(c1)sc(n2)SCc1c(Cl)cccc1[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 C17H14ClN3O3S2 MW 407.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O3S2/c1-2-16(22)19-10-6-7-13-15(8-10)26-17(20-13)25-9-11-12(18)4-3-5-14(11)21(23)24/h3-8H,2,9H2,1H3,(H,19,22)
InChIKey
XZOFEIFHNIYTBS-UHFFFAOYSA-N
Synonyms
530131-45-4
530131454
CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=CC=C3Cl)(N+)(=O)(O)
CCC(=O)Nc1ccc2c(c1)sc(n2)SCc1c(Cl)cccc1(N+)(=O)(O)
InChI=1SC17H14ClN3O3S2c1216(22)1910671315(810)2617(2013)2591112(18)43514(11)21(23)24h38H29H21H3(H1922)
MFCD03355754
N(2((2CHLORO6NITROBENZYL)SULFANYL)13BENZOTHIAZOL6YL)PROPANAMIDE
N(2((2chloro6nitrobenzyl)thio)benzo(d)thiazol6yl)propionamide
N(2((2CHLORO6NITROPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)PROPANAMIDE
STK021003
ZINC000001138210
ZINC01138210
ZINC1138210

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Available files

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