Vitas-M small molecule compound
5-{[bis(2-hydroxyethyl)amino]methyl}-4,6-dinitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL431217
SMILES OCCN(Cc1c(cc2c(c1[N+](=O)[O-])[nH]c(=O)[nH]2)[N+](=O)[O-])CCO
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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 C12H15N5O7 MW 341.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N5O7/c18-3-1-15(2-4-19)6-7-9(16(21)22)5-8-10(11(7)17(23)24)14-12(20)13-8/h5,18-19H,1-4,6H2,(H2,13,14,20)InChIKey
MAELELHKSHSYHO-UHFFFAOYSA-NSynonyms
5((bis(2hydroxyethyl)amino)methyl)46dinitro13dihydro2Hbenzimidazol2one
5((bis(2hydroxyethyl)amino)methyl)46dinitro13dihydrobenzimidazol2one
C1=C2C(=C(C(=C1(N+)(=O)(O))CN(CCO)CCO)(N+)(=O)(O))NC(=O)N2
InChI=1SC12H15N5O7c183115(2419)679(16(21)22)5810(11(7)17(23)24)1412(20)138h51819H146H2(H2131420)
MFCD01445927
OCCN(Cc1c(cc2c(c1(N+)(=O)(O))(nH)c(=O)(nH)2)(N+)(=O)(O))CCO
ZINC000032099391
ZINC32099391
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