Vitas-M small molecule compound
2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK155965
SMILES CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(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 C18H12N4O5S2 MW 428.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O5S2/c1-2-28-18-20-19-17(29-18)21-15(23)13-8-7-12(9-14(13)16(21)24)27-11-5-3-10(4-6-11)22(25)26/h3-9H,2H2,1H3InChIKey
PLLYOUKEOWNNRK-UHFFFAOYSA-NSynonyms
2(5(ETHYLSULFANYL)134THIADIAZOL2YL)5(4NITROPHENOXY)1HISOINDOLE13(2H)DIONE
2(5(ethylthio)134thiadiazol2yl)5(4nitrophenoxy)isoindoline13dione
2(5ETHYLSULFANYL134THIADIAZOL2YL)5(4NITROPHENOXY)ISOINDOLE13DIONE
CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O)
CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H12N4O5S2c122818201917(2918)2115(23)138712(914(13)16(21)24)27115310(4611)22(25)26h39H2H21H3
MFCD02031743
ZINC000002248756
ZINC02248756
ZINC2248756
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