Vitas-M small molecule compound

3-(1,3,4-thiadiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK398540
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1nncs1

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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 C11H11N3O3S MW 265.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O3S/c15-9(13-11-14-12-4-18-11)7-5-1-2-6(3-5)8(7)10(16)17/h1-2,4-8H,3H2,(H,16,17)(H,13,14,15)
InChIKey
DTBVBKURAWEEKE-UHFFFAOYSA-N
Synonyms

2(134THIADIAZOL2YLCARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(134thiadiazol2ylcarbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(134THIADIAZOL2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1C2C=CC1C(C2C(=O)NC3=NN=CS3)C(=O)O
InChI=1SC11H11N3O3Sc159(1311141241811)75126(35)8(7)10(16)17h1248H3H2(H1617)(H131415)
MFCD03380807
ZINC000101699613
ZINC000239038719

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.