Vitas-M small molecule compound
4-({2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)benzoic acid
Catalog ID
STK097359
SMILES CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1ccc(cc1)C(=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 C20H13N3O5S2 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O5S2/c1-2-29-20-22-21-19(30-20)23-16(25)13-8-7-12(9-14(13)17(23)26)15(24)10-3-5-11(6-4-10)18(27)28/h3-9H,2H2,1H3,(H,27,28)InChIKey
GMWVRNOUXHNKPN-UHFFFAOYSA-NSynonyms
4((2(5(ETHYLSULFANYL)134THIADIAZOL2YL)13DIOXO23DIHYDRO1HISOINDOL5YL)CARBONYL)BENZOICACID
4(2(5(ETHYLTHIO)134THIADIAZOL2YL)13DIOXOISOINDOLINE5CARBONYL)BENZOICACID
4(2(5ETHYLSULFANYL134THIADIAZOL2YL)13DIOXOISOINDOLE5CARBONYL)BENZOICACID
4(2(5ETHYLSULFANYL134THIADIAZOL2YL)13DIOXOISOINDOLINE5CARBONYL)BENZOICACID
BENZOICACID4((2(5(ETHYLTHIO)134THIADIAZOL2YL)23DIHYDRO13DIOXO1HISOINDOL5YL)CARBONYL)
CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O
CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1ccc(cc1)C(=O)O
InChI=1SC20H13N3O5S2c122920222119(3020)2316(25)138712(914(13)17(23)26)15(24)103511(6410)18(27)28h39H2H21H3(H2728)
MFCD01974015
STK097359
ZINC000008417477
ZINC8417477
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