Vitas-M small molecule compound
2-methyl-N-{(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Catalog ID
STK969780
SMILES S=C1S/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C(=O)N1NC(=O)c1ccccc1C
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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 C19H13N3O6S2 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O6S2/c1-10-4-2-3-5-12(10)17(23)20-21-18(24)16(30-19(21)29)7-11-6-14-15(28-9-27-14)8-13(11)22(25)26/h2-8H,9H2,1H3,(H,20,23)/b16-7+InChIKey
GXEHGVXAAKFYJB-FRKPEAEDSA-NSynonyms
301692-14-8(2METHYLPHENYL)N(5((6NITRO(2HBENZO(34D)13DIOXOLEN5YL))METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))CARBOXAMIDE
(E)2methylN(5((6nitrobenzo(d)(13)dioxol5yl)methylene)4oxo2thioxothiazolidin3yl)benzamide
2METHYLN((5E)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZAMIDE
2methylN((5E)5((6nitro13benzodioxol5yl)methylidene)4oxo2thioxo13thiazolidin3yl)benzamide
301692148
CC1=CC=CC=C1C(=O)NN2C(=O)C(=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4)SC2=S
InChI=1SC19H13N3O6S2c110423512(10)17(23)202118(24)16(3019(21)29)71161415(2892714)813(11)22(25)26h28H9H21H3(H2023)b167+
MFCD01847347
S=C1SC(=Cc2cc3OCOc3cc2(N+)(=O)(O))C(=O)N1NC(=O)c1ccccc1C
ZINC000009088294
ZINC09088294
ZINC9088294
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