Vitas-M small molecule compound
prop-2-en-1-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK704436
SMILES C=CCOC(=O)C1=C(C)N=C2N(C1c1cccc(c1)[N+](=O)[O-])C(=O)C(S2)CC
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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 C19H19N3O5S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5S/c1-4-9-27-18(24)15-11(3)20-19-21(17(23)14(5-2)28-19)16(15)12-7-6-8-13(10-12)22(25)26/h4,6-8,10,14,16H,1,5,9H2,2-3H3InChIKey
DSPHVRMBSCHYKZ-UHFFFAOYSA-NSynonyms
620554-95-2620554952
C=CCOC(=O)C1=C(C)N=C2N(C1c1cccc(c1)(N+)(=O)(O))C(=O)C(S2)CC
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC=C)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H19N3O5Sc1492718(24)1511(3)201921(17(23)14(52)2819)16(15)1276813(1012)22(25)26h468101416H159H223H3
MFCD04446525
PROP2EN1YL(2R5R)2ETHYL7METHYL5(3NITROPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROP2EN1YL(2R5S)2ETHYL7METHYL5(3NITROPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROP2EN1YL(2S5R)2ETHYL7METHYL5(3NITROPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
prop2en1yl2ethyl7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL2ETHYL7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002702486
ZINC000002702490
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