Vitas-M small molecule compound
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK118685
SMILES S=C1S/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1Cc1ccc2c(c1)OCO2
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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 C18H12N2O5S2 MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O5S2/c21-17-16(8-11-1-4-13(5-2-11)20(22)23)27-18(26)19(17)9-12-3-6-14-15(7-12)25-10-24-14/h1-8H,9-10H2/b16-8-InChIKey
HFMRNPPKAKDPOB-PXNMLYILSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((4NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(13BENZODIOXOL5YLMETHYL)5(4NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))SC3=S
InChI=1SC18H12N2O5S2c211716(8111413(5211)20(22)23)2718(26)19(17)912361415(712)25102414h18H910H2b168
MFCD03213065
S=C1SC(=Cc2ccc(cc2)(N+)(=O)(O))C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000012629562
ZINC12629562
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