Vitas-M small molecule compound

6-chloro-N-(4-methoxyphenyl)-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Catalog ID
STL385405
SMILES COc1ccc(cc1)NC(=O)C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccccc1)Cl

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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 C22H19ClN2O5S MW 458.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O5S/c1-29-17-10-8-16(9-11-17)24-22(26)21-14-25(19-13-15(23)7-12-20(19)30-21)31(27,28)18-5-3-2-4-6-18/h2-13,21H,14H2,1H3,(H,24,26)
InChIKey
JQDGSRUVVNNPNB-UHFFFAOYSA-N
Synonyms

4(benzenesulfonyl)6chloroN(4methoxyphenyl)23dihydro14benzoxazine2carboxamide
6chloroN(4methoxyphenyl)4(phenylsulfonyl)34dihydro2H14benzoxazine2carboxamide
COC1=CC=C(C=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI=1SC22H19ClN2O5Sc1291710816(91117)2422(26)211425(191315(23)71220(19)3021)31(2728)185324618h21321H14H21H3(H2426)
MFCD27217433
ZINC000064985690
ZINC000064985691

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Available files

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