Vitas-M small molecule compound
2-(morpholin-4-yl)-5-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
Catalog ID
STK211721
SMILES CCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1cc(ccc1N1CCOCC1)[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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-2-19(27)24-21-23-16-5-3-13(11-18(16)32-21)22-20(28)15-12-14(26(29)30)4-6-17(15)25-7-9-31-10-8-25/h3-6,11-12H,2,7-10H2,1H3,(H,22,28)(H,23,24,27)InChIKey
JHGWLCRDVXNXHF-UHFFFAOYSA-NSynonyms
2(MORPHOLIN4YL)5NITRON(2(PROPANOYLAMINO)13BENZOTHIAZOL6YL)BENZAMIDE
2morpholin4yl5nitroN(2(propanoylamino)13benzothiazol6yl)benzamide
CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCOCC4
CCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O)
InChI=1SC21H21N5O5Sc1219(27)242123165313(1118(16)3221)2220(28)151214(26(29)30)4617(15)25793110825h361112H2710H21H3(H2228)(H232427)
MFCD07436009
ZINC000010076842
ZINC10076842
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