Vitas-M small molecule compound
4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl thiocyanate
Catalog ID
STK358820
SMILES N#CSc1ccc(cc1)N1C(=O)C2C(C1=O)CC(CC2)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 C16H16N2O2S MW 300.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O2S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)11-3-5-12(6-4-11)21-9-17/h3-6,10,13-14H,2,7-8H2,1H3InChIKey
ZZEHRNOHYOWJJX-UHFFFAOYSA-NSynonyms
(4(5methyl13dioxo3a45677ahexahydroisoindol2yl)phenyl)thiocyanate
4(5methyl13dioxooctahydro2Hisoindol2yl)phenylthiocyanate
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC#N
InChI=1SC16H16N2O2Sc110271314(810)16(20)18(15(13)19)113512(6411)21917h36101314H278H21H3
MFCD02020326
ZINC000004162305
ZINC000104188591
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