Vitas-M small molecule compound
1-(9H-fluoren-2-yl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK147515
SMILES C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2c3cccc2)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 C26H20N4O3S MW 468.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O3S/c1-2-13-29-25(17-7-10-21(11-8-17)30(32)33)27-28-26(29)34-16-24(31)19-9-12-23-20(15-19)14-18-5-3-4-6-22(18)23/h2-12,15H,1,13-14,16H2InChIKey
MVZVQXFNSHSSGO-UHFFFAOYSA-NSynonyms
1(9HFLUOREN2YL)2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(9HFLUOREN2YL)2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=CC=C(C=C5)(N+)(=O)(O)
C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2c3cccc2)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H20N4O3Sc12132925(1771021(11817)30(32)33)272826(29)341624(31)199122320(1519)1418534622(18)23h21215H1131416H2
MFCD05985679
ZINC000002835682
ZINC02835682
ZINC2835682
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