Vitas-M small molecule compound
benzyl 3-(benzylsulfanyl)-3-(1H-indol-3-yl)-2-nitropropanoate
Catalog ID
STK528886
SMILES [O-][N+](=O)C(C(c1c[nH]c2c1cccc2)SCc1ccccc1)C(=O)OCc1ccccc1
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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 C25H22N2O4S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4S/c28-25(31-16-18-9-3-1-4-10-18)23(27(29)30)24(32-17-19-11-5-2-6-12-19)21-15-26-22-14-8-7-13-20(21)22/h1-15,23-24,26H,16-17H2InChIKey
PNLJTDSOHFTNAV-UHFFFAOYSA-NSynonyms
347401-05-2(O)(N+)(=O)C(C(c1c(nH)c2c1cccc2)SCc1ccccc1)C(=O)OCc1ccccc1
347401052
benzyl3(benzylsulfanyl)3(1Hindol3yl)2nitropropanoate
benzyl3(benzylthio)3(1Hindol3yl)2nitropropanoate
BENZYL3BENZYLSULFANYL3(1HINDOL3YL)2NITROPROPANOATE
C1=CC=C(C=C1)COC(=O)C(C(C2=CNC3=CC=CC=C32)SCC4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC25H22N2O4Sc2825(31161893141018)23(27(29)30)24(321719115261219)2115262214871320(21)22h115232426H1617H2
MFCD00541028
ZINC000002274810
ZINC000002274813
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