Vitas-M small molecule compound
4-[({[1-(bicyclo[2.2.1]hept-5-en-2-yl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK785067
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnnn1C1CC2CC1C=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 C17H17N5O3S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S/c23-15(18-13-5-3-11(4-6-13)16(24)25)9-26-17-19-20-21-22(17)14-8-10-1-2-12(14)7-10/h1-6,10,12,14H,7-9H2,(H,18,23)(H,24,25)InChIKey
OIROBBRJWJTYBR-UHFFFAOYSA-NSynonyms
1005152-28-21005152282
4((((1(bicyclo(221)hept5en2yl)1Htetrazol5yl)sulfanyl)acetyl)amino)benzoicacid
4((2(1(5BICYCLO(221)HEPT2ENYL)TETRAZOL5YL)SULFANYLACETYL)AMINO)BENZOICACID
4(2((1((1S4S)bicyclo(221)hept5en2yl)1Htetrazol5yl)thio)acetamido)benzoicacid
4(2(1BICYCLO(221)HEPT5EN2YL1HTETRAZOL5YLSULFANYL)ACETYLAMINO)BENZOICACID
C1C2CC(C1C=C2)N3C(=NN=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC17H17N5O3Sc2315(18135311(4613)16(24)25)9261719202122(17)148101212(14)710h16101214H79H2(H1823)(H2425)
MFCD07757638
ZINC000100216094
ZINC000100216097
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