Vitas-M small molecule compound

methyl 4-{[(3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)carbonyl]amino}benzoate

Catalog ID
STK634829
SMILES COC(=O)c1ccc(cc1)NC(=O)C1=C(SCCO1)c1ccccc1

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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 C19H17NO4S MW 355.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO4S/c1-23-19(22)14-7-9-15(10-8-14)20-18(21)16-17(25-12-11-24-16)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKey
CJTHAOHHYQRPDQ-UHFFFAOYSA-N
Synonyms
1010930-29-6
1010930296
COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SCCO2)C3=CC=CC=C3
InChI=1SC19H17NO4Sc12319(22)147915(10814)2018(21)1617(2512112416)135324613h210H1112H21H3(H2021)
methyl4(((3phenyl56dihydro14oxathiin2yl)carbonyl)amino)benzoate
methyl4((5phenyl23dihydro14oxathiine6carbonyl)amino)benzoate
methyl4(3phenyl56dihydro14oxathiine2carboxamido)benzoate
MFCD12201752
ZINC000012390108
ZINC12390108

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Available files

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