Vitas-M small molecule compound
3,3'-[(6-nitro-1,3-benzothiazol-2-yl)imino]dipropanoic acid (non-preferred name)
Catalog ID
STK524854
SMILES OC(=O)CCN(c1nc2c(s1)cc(cc2)[N+](=O)[O-])CCC(=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 C13H13N3O6S MW 339.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O6S/c17-11(18)3-5-15(6-4-12(19)20)13-14-9-2-1-8(16(21)22)7-10(9)23-13/h1-2,7H,3-6H2,(H,17,18)(H,19,20)InChIKey
WXDDHKPJCLVUES-UHFFFAOYSA-NSynonyms
200402-66-0200402660
3((2CARBOXYETHYL)(6NITROBENZOTHIAZOL2YL)AMINO)PROPANOICACID
3((2CARBOXYETHYL)(6NITROBENZOTHIAZOL2YL)AMINO)PROPIONICACID
3(2CARBOXYETHYL(6NITRO13BENZOTHIAZOL2YL)AMINO)PROPANOICACID
33((6nitro13benzothiazol2yl)imino)dipropanoicacid(nonpreferredname)
33((6nitrobenzo(d)thiazol2yl)azanediyl)dipropanoicacid
C1=CC2=C(C=C1(N+)(=O)(O))SC(=N2)N(CCC(=O)O)CCC(=O)O
InChI=1SC13H13N3O6Sc1711(18)3515(6412(19)20)13149218(16(21)22)710(9)2313h127H36H2(H1718)(H1920)
MFCD00520409
OC(=O)CCN(c1nc2c(s1)cc(cc2)(N+)(=O)(O))CCC(=O)O
ZINC000004697426
ZINC4697426
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