Vitas-M small molecule compound
2-chloroethyl 3-(4-methylphenyl)-2-thiocyanatopropanoate
Catalog ID
STL357241
SMILES ClCCOC(=O)C(Cc1ccc(cc1)C)SC#N
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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 C13H14ClNO2S MW 283.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClNO2S/c1-10-2-4-11(5-3-10)8-12(18-9-15)13(16)17-7-6-14/h2-5,12H,6-8H2,1H3InChIKey
QLOTXSFGMDTVAA-UHFFFAOYSA-NSynonyms
327077-82-72CHLOROETHYL(2S)3(4METHYLPHENYL)2THIOCYANATOPROPANOATE
2CHLOROETHYL2CYANOTHIO3(4METHYLPHENYL)PROPANOATE
2chloroethyl2thiocyanato3(ptolyl)propanoate
2chloroethyl3(4methylphenyl)2thiocyanatopropanoate
327077827
CC1=CC=C(C=C1)CC(C(=O)OCCCl)SC#N
InChI=1SC13H14ClNO2Sc1102411(5310)812(18915)13(16)177614h2512H68H21H3
MFCD00563192
ZINC000002362332
ZINC000002362333
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