Vitas-M small molecule compound
[2-({3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}amino)-2-oxoethoxy]acetic acid
Catalog ID
STK678361
SMILES OCC(CSc1cc(NC(=O)COCC(=O)O)cc(c1)[N+](=O)[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 C13H16N2O8S MW 360.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O8S/c16-4-10(17)7-24-11-2-8(1-9(3-11)15(21)22)14-12(18)5-23-6-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)InChIKey
XTICOGVEBSWWSP-UHFFFAOYSA-NSynonyms
(2((3((23dihydroxypropyl)sulfanyl)5nitrophenyl)amino)2oxoethoxy)aceticacid
2((N(5(23DIHYDROXYPROPYLTHIO)3NITROPHENYL)CARBAMOYL)METHOXY)ACETICACID
2(2(3(23DIHYDROXYPROPYLSULFANYL)5NITROANILINO)2OXOETHOXY)ACETICACID
C1=C(C=C(C=C1(N+)(=O)(O))SCC(CO)O)NC(=O)COCC(=O)O
InChI=1SC13H16N2O8Sc16410(17)7241128(19(311)15(21)22)1412(18)523613(19)20h13101617H47H2(H1418)(H1920)
MFCD03034633
OCC(CSc1cc(NC(=O)COCC(=O)O)cc(c1)(N+)(=O)(O))O
ZINC000003618343
ZINC000003618344
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