Vitas-M small molecule compound

N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-nitrobenzamide

Catalog ID
STK757690
SMILES O=C(c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)C(C)(C)C

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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 C25H23N3O3S2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S2/c1-25(2,3)17-10-8-16(9-11-17)15-32-24-27-20-13-12-18(14-22(20)33-24)26-23(29)19-6-4-5-7-21(19)28(30)31/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey
ASQBQNMUQBTNIT-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC25H23N3O3S2c125(23)1710816(91117)1532242720131218(1422(20)3324)2623(29)19645721(19)28(30)31h414H15H213H3(H2629)
MFCD01205180
N(2((4tertbutylbenzyl)sulfanyl)13benzothiazol6yl)2nitrobenzamide
N(2((4TERTBUTYLPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)2NITROBENZAMIDE
O=C(c1ccccc1(N+)(=O)(O))Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)C(C)(C)C
ZINC000003665348
ZINC03665348
ZINC3665348

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Available files

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