Vitas-M small molecule compound

N-(3-chloro-2-methylphenyl)-3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanamide

Catalog ID
STK136597
SMILES O=C(Nc1cccc(c1C)Cl)CCN1C(=O)c2c(S1(=O)=O)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 C17H15ClN2O4S MW 378.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN2O4S/c1-11-13(18)6-4-7-14(11)19-16(21)9-10-20-17(22)12-5-2-3-8-15(12)25(20,23)24/h2-8H,9-10H2,1H3,(H,19,21)
InChIKey
QESBIOAOOVSXIS-UHFFFAOYSA-N
Synonyms
663167-88-2
663167882
CC1=C(C=CC=C1Cl)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI=1SC17H15ClN2O4Sc11113(18)64714(11)1916(21)9102017(22)12523815(12)25(2023)24h28H910H21H3(H1921)
MFCD03998299
N(3CHLORO2METHYLPHENYL)3(113TRIOXO12BENZOTHIAZOL2YL)PROPANAMIDE
N(3CHLORO2METHYLPHENYL)3(11DIOXIDO3OXO12BENZISOTHIAZOL2(3H)YL)PROPANAMIDE
N(3CHLORO2METHYLPHENYL)3(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)PROPANAMIDE
N(3CHLORO2METHYLPHENYL)3(11DIOXIDO3OXOBENZO(D)ISOTHIAZOL2(3H)YL)PROPANAMIDE
ZINC000001145848
ZINC01145848
ZINC1145848

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Available files

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