Vitas-M small molecule compound

2-methylpropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK704799
SMILES CCC1SC2=NC(=C(C(N2C1=O)c1cccc(c1)[N+](=O)[O-])C(=O)OCC(C)C)C

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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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-5-15-18(24)22-17(13-7-6-8-14(9-13)23(26)27)16(12(4)21-20(22)29-15)19(25)28-10-11(2)3/h6-9,11,15,17H,5,10H2,1-4H3
InChIKey
OKFWRAUOOYEVNL-UHFFFAOYSA-N
Synonyms
620553-76-6
2METHYLPROPYL(2R5R)2ETHYL7METHYL5(3NITROPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2METHYLPROPYL(2R5S)2ETHYL7METHYL5(3NITROPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2METHYLPROPYL(2S5R)2ETHYL7METHYL5(3NITROPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2methylpropyl2ethyl7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL2ETHYL7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
620553766
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC(C)C)C3=CC(=CC=C3)(N+)(=O)(O)
CCC1SC2=NC(=C(C(N2C1=O)c1cccc(c1)(N+)(=O)(O))C(=O)OCC(C)C)C
InChI=1SC20H23N3O5Sc151518(24)2217(1376814(913)23(26)27)16(12(4)2120(22)2915)19(25)281011(2)3h69111517H510H214H3
MFCD04446637
ZINC000002702626
ZINC000002702631

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Available files

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