Vitas-M small molecule compound
4-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-yl furan-2-carboxylate
Catalog ID
STK260999
SMILES Clc1ccc(cc1)n1nnnc1SCC#CCOC(=O)c1ccco1
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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 C16H11ClN4O3S MW 374.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4O3S/c17-12-5-7-13(8-6-12)21-16(18-19-20-21)25-11-2-1-9-24-15(22)14-4-3-10-23-14/h3-8,10H,9,11H2InChIKey
KPXQPVXLZHXOCD-UHFFFAOYSA-NSynonyms
4((1(4chlorophenyl)1Htetrazol5yl)sulfanyl)but2yn1ylfuran2carboxylate
4(1(4CHLOROPHENYL)TETRAZOL5YL)SULFANYLBUT2YNYLFURAN2CARBOXYLATE
C1=COC(=C1)C(=O)OCC#CCSC2=NN=NN2C3=CC=C(C=C3)Cl
InChI=1SC16H11ClN4O3Sc17125713(8612)2116(18192021)25112192415(22)1443102314h3810H911H2
MFCD06098326
ZINC000008379375
ZINC08379375
ZINC8379375
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