Vitas-M small molecule compound
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Catalog ID
STK386876
SMILES [O-][N+](=O)CC(c1c[nH]c2c1cccc2)SC(=O)C
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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 C12H12N2O3S MW 264.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O3S/c1-8(15)18-12(7-14(16)17)10-6-13-11-5-3-2-4-9(10)11/h2-6,12-13H,7H2,1H3InChIKey
DMTCSKCHGTYXQR-UHFFFAOYSA-NSynonyms
35891-41-9(O)(N+)(=O)CC(c1c(nH)c2c1cccc2)SC(=O)C
1(1INDOL3YL2NITROETHYLTHIO)ETHAN1ONE
35891419
CC(=O)SC(C(N+)(=O)(O))C1=CNC2=CC=CC=C21
InChI=1SC12H12N2O3Sc18(15)1812(714(16)17)106131153249(10)11h261213H7H21H3
MFCD00450758
S(1(1HINDOL3YL)2NITROETHYL)ETHANETHIOATE
ZINC000000500919
ZINC000000500920
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