Vitas-M small molecule compound
1-(2,3-dihydro-1H-indol-1-yl)-2-{[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK147403
SMILES CCn1c(SCC(=O)N2CCc3c2cccc3)nnc1c1ccc(cc1)[N+](=O)[O-]
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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-2-23-19(15-7-9-16(10-8-15)25(27)28)21-22-20(23)29-13-18(26)24-12-11-14-5-3-4-6-17(14)24/h3-10H,2,11-13H2,1H3InChIKey
RWYSWBGRTSWNGT-UHFFFAOYSA-NSynonyms
1(23DIHYDRO1HINDOL1YL)2((4ETHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDROINDOL1YL)2((4ETHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)(N+)(=O)(O)
CCn1c(SCC(=O)N2CCc3c2cccc3)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H19N5O3Sc122319(157916(10815)25(27)28)212220(23)291318(26)24121114534617(14)24h310H21113H21H3
MFCD03877755
ZINC000001127683
ZINC01127683
ZINC1127683
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