Vitas-M small molecule compound
3-({4-[(4-nitrophenyl)sulfanyl]phenyl}carbamoyl)phenyl acetate
Catalog ID
STK299664
SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1ccc(cc1)Sc1ccc(cc1)[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 C21H16N2O5S MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O5S/c1-14(24)28-18-4-2-3-15(13-18)21(25)22-16-5-9-19(10-6-16)29-20-11-7-17(8-12-20)23(26)27/h2-13H,1H3,(H,22,25)InChIKey
HFEXCHWBXPITIH-UHFFFAOYSA-NSynonyms
(3((4(4NITROPHENYL)SULFANYLPHENYL)CARBAMOYL)PHENYL)ACETATE
3((4((4nitrophenyl)sulfanyl)phenyl)carbamoyl)phenylacetate
3(N(4(4NITROPHENYLTHIO)PHENYL)CARBAMOYL)PHENYLACETATE
CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)(N+)(=O)(O)
CC(=O)Oc1cccc(c1)C(=O)Nc1ccc(cc1)Sc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H16N2O5Sc114(24)281842315(1318)21(25)22165919(10616)292011717(81220)23(26)27h213H1H3(H2225)
MFCD01974329
ZINC000001175586
ZINC01175586
ZINC1175586
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