Vitas-M small molecule compound
1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK202414
SMILES C=CCn1c(SCC(=O)N2CCc3c2cccc3)nnc1c1cccc(c1)[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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-2-11-25-20(16-7-5-8-17(13-16)26(28)29)22-23-21(25)30-14-19(27)24-12-10-15-6-3-4-9-18(15)24/h2-9,13H,1,10-12,14H2InChIKey
RDDSSYBGPOYTBS-UHFFFAOYSA-NSynonyms
1(23DIHYDRO1HINDOL1YL)2((5(3NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDROINDOL1YL)2((5(3NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC(=CC=C4)(N+)(=O)(O)
C=CCn1c(SCC(=O)N2CCc3c2cccc3)nnc1c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H19N5O3Sc12112520(1675817(1316)26(28)29)222321(25)301419(27)24121015634918(15)24h2913H1101214H2
MFCD04384139
ZINC000002861346
ZINC02861346
ZINC2861346
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