Vitas-M small molecule compound

[2-chloro-5-(methylsulfanyl)phenyl]({[(1Z)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]amino}oxy)methanone

Catalog ID
STK753168
SMILES COc1ccc2c(c1)CC/C/2=N/OC(=O)c1cc(SC)ccc1Cl

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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 C18H16ClNO3S MW 361.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO3S/c1-22-12-4-6-14-11(9-12)3-8-17(14)20-23-18(21)15-10-13(24-2)5-7-16(15)19/h4-7,9-10H,3,8H2,1-2H3/b20-17-
InChIKey
BYTOKVVAIGSKJU-JZJYNLBNSA-N
Synonyms

((Z)(5methoxy23dihydroinden1ylidene)amino)2chloro5methylsulfanylbenzoate
(2chloro5(methylsulfanyl)phenyl)((((1Z)5methoxy23dihydro1Hinden1ylidene)amino)oxy)methanone
COC1=CC2=C(C=C1)C(=NOC(=O)C3=C(C=CC(=C3)SC)Cl)CC2
COc1ccc2c(c1)CCC2=NOC(=O)c1cc(SC)ccc1Cl
InChI=1SC18H16ClNO3Sc12212461411(912)3817(14)202318(21)151013(242)5716(15)19h47910H38H212H3b2017
MFCD00469801
ZINC000004459114
ZINC12371505

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.