Vitas-M small molecule compound
3-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK421015
SMILES CCSc1nnc(s1)NC(=O)C1C2C=CC(C1C(=O)O)O2
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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 C12H13N3O4S2 MW 327.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O4S2/c1-2-20-12-15-14-11(21-12)13-9(16)7-5-3-4-6(19-5)8(7)10(17)18/h3-8H,2H2,1H3,(H,17,18)(H,13,14,16)InChIKey
PBRWTBFTFGJNAE-UHFFFAOYSA-NSynonyms
488821-71-22((5ETHYLSULFANYL134THIADIAZOL2YL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(((5(ETHYLSULFANYL)134THIADIAZOL2YL)AMINO)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((5(ethylsulfanyl)134thiadiazol2yl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(5ETHYLTHIO134THIADIAZOL2YL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
488821712
CCSC1=NN=C(S1)NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC12H13N3O4S2c122012151411(2112)139(16)75346(195)8(7)10(17)18h38H2H21H3(H1718)(H131416)
MFCD02054557
ZINC000225631475
ZINC000239173997
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