Vitas-M small molecule compound
N-tert-butyl-3-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(2-nitrobenzylidene)hydrazinyl]propanamide
Catalog ID
STL290586
SMILES O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccccc1[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 C21H23N5O5S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5S/c1-21(2,3)23-19(27)12-13-25(22-14-15-8-4-6-10-17(15)26(28)29)20-16-9-5-7-11-18(16)32(30,31)24-20/h4-11,14H,12-13H2,1-3H3,(H,23,27)/b22-14+InChIKey
LMJMUXJLQWMMSQ-HYARGMPZSA-NSynonyms
CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC21H23N5O5Sc121(23)2319(27)121325(2214158461017(15)26(28)29)20169571118(16)32(3031)2420h41114H1213H213H3(H2327)b2214+
MFCD05150153
Ntertbutyl3((11dioxo12benzothiazol3yl)((E)(2nitrophenyl)methylideneamino)amino)propanamide
Ntertbutyl3((2E)1(11dioxido12benzothiazol3yl)2(2nitrobenzylidene)hydrazinyl)propanamide
O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1ccccc1(N+)(=O)(O)
ZINC000027548556
ZINC34932078
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