Vitas-M small molecule compound
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Catalog ID
STK498329
SMILES CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-2-5-20(28)25-22-24-16-8-7-15(13-19(16)32-22)23-21(29)14-6-9-17(18(12-14)27(30)31)26-10-3-4-11-26/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,29)(H,24,25,28)InChIKey
CUKYALQSPQQKCR-UHFFFAOYSA-NSynonyms
CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)(N+)(=O)(O)
CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
InChI=1SC22H23N5O4Sc12520(28)252224168715(1319(16)3222)2321(29)146917(18(1214)27(30)31)2610341126h691213H251011H21H3(H2329)(H242528)
MFCD09592602
N(2(butanoylamino)13benzothiazol6yl)3nitro4(pyrrolidin1yl)benzamide
N(2(butanoylamino)13benzothiazol6yl)3nitro4pyrrolidin1ylbenzamide
ZINC000022535480
ZINC22535480
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