Vitas-M small molecule compound
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK806971
SMILES CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1c1sc2c(c1Cl)cccc2
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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 C20H15ClN4O3S2 MW 458.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O3S2/c1-2-24-19(18-17(21)14-5-3-4-6-16(14)30-18)22-23-20(24)29-11-15(26)12-7-9-13(10-8-12)25(27)28/h3-10H,2,11H2,1H3InChIKey
FEZHYTQJXXVBMA-UHFFFAOYSA-NSynonyms
2((5(3CHLORO1BENZOTHIOPHEN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((5(3chloro1benzothiophen2yl)4ethyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2(5(3CHLOROBENZO(B)THIOPHEN2YL)4ETHYL(124TRIAZOL3YLTHIO))1(4NITROPHENYL)ETHAN1ONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=C(C4=CC=CC=C4S3)Cl
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1c1sc2c(c1Cl)cccc2
InChI=1SC20H15ClN4O3S2c122419(1817(21)14534616(14)3018)222320(24)291115(26)127913(10812)25(27)28h310H211H21H3
MFCD03621352
ZINC000001122980
ZINC01122980
ZINC1122980
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