Vitas-M small molecule compound

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide

Catalog ID
STL089064
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1C)c1nc2c(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 C23H19N3O4S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4S/c1-3-30-20-11-9-15(13-19(20)26(28)29)22(27)24-17-10-8-16(12-14(17)2)23-25-18-6-4-5-7-21(18)31-23/h4-13H,3H2,1-2H3,(H,24,27)
InChIKey
YPABUCOXMHRZKM-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccc(cc1C)c1nc2c(s1)cccc2
InChI=1SC23H19N3O4Sc13302011915(1319(20)26(28)29)22(27)241710816(1214(17)2)232518645721(18)3123h413H3H212H3(H2427)
MFCD05850292
N(4(13benzothiazol2yl)2methylphenyl)4ethoxy3nitrobenzamide
ZINC000002886376
ZINC02886376
ZINC2886376

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Available files

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