Vitas-M small molecule compound
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK462936
SMILES CCc1nnc(s1)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c1-2-8-15-16-13(20-8)14-11(17)9-6-3-4-7(5-6)10(9)12(18)19/h3-4,6-7,9-10H,2,5H2,1H3,(H,18,19)(H,14,16,17)InChIKey
LEJGNWYTMKHNJO-UHFFFAOYSA-NSynonyms
2((5ETHYL134THIADIAZOL2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((5ethyl134thiadiazol2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(5ETHYL134THIADIAZOL2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=NN=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI=1SC13H15N3O3Sc128151613(208)1411(17)96347(56)10(9)12(18)19h3467910H25H21H3(H1819)(H141617)
MFCD00422696
ZINC000102322747
ZINC000238901139
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