Vitas-M small molecule compound

2-nitroethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-thiochromene-3-carboxylate

Catalog ID
STK315435
SMILES COc1cccc(c1)C1C(=C(N)SC2=C1C(=O)CCC2)C(=O)OCC[N+](=O)[O-]

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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 C19H20N2O6S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6S/c1-26-12-5-2-4-11(10-12)15-16-13(22)6-3-7-14(16)28-18(20)17(15)19(23)27-9-8-21(24)25/h2,4-5,10,15H,3,6-9,20H2,1H3
InChIKey
KGGHLRLXBSKQQI-UHFFFAOYSA-N
Synonyms

2nitroethyl2amino4(3methoxyphenyl)5oxo4678tetrahydrothiochromene3carboxylate
2nitroethyl2amino4(3methoxyphenyl)5oxo5678tetrahydro4Hthiochromene3carboxylate
2NITROETHYL2AMINO4(3METHOXYPHENYL)5OXO678TRIHYDRO4HBENZO(12B)THIIN3CARBOXYLATE
COC1=CC=CC(=C1)C2C3=C(CCCC3=O)SC(=C2C(=O)OCC(N+)(=O)(O))N
COc1cccc(c1)C1C(=C(N)SC2=C1C(=O)CCC2)C(=O)OCC(N+)(=O)(O)
InChI=1SC19H20N2O6Sc1261252411(1012)151613(22)63714(16)2818(20)17(15)19(23)279821(24)25h2451015H36920H21H3
MFCD01243780
ZINC000002729501
ZINC000002729502

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Available files

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