Vitas-M small molecule compound
ethyl (2Z)-5-(4-methoxyphenyl)-2-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK051404
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cc(ccc1N1CCCC1)[N+](=O)[O-])/s2)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 C33H30N4O6S MW 610.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O6S/c1-3-43-32(39)28-29(21-9-5-4-6-10-21)34-33-36(30(28)22-11-14-25(42-2)15-12-22)31(38)27(44-33)20-23-19-24(37(40)41)13-16-26(23)35-17-7-8-18-35/h4-6,9-16,19-20,30H,3,7-8,17-18H2,1-2H3/b27-20-InChIKey
YPLUTGVBWMVEKY-OOAXWGSJSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(ccc1N1CCCC1)(N+)(=O)(O))s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=C(C=CC(=C4)(N+)(=O)(O))N5CCCC5)S2)C6=CC=CC=C6
ETHYL(2Z)5(4METHOXYPHENYL)2((5NITRO2PYRROLIDIN1YLPHENYL)METHYLIDENE)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4METHOXYPHENYL)2(5NITRO2(PYRROLIDIN1YL)BENZYLIDENE)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H30N4O6Sc134332(39)2829(2195461021)343336(30(28)22111425(422)151222)31(38)27(4433)20231924(37(40)41)131626(23)3517781835h46916192030H3781718H212H3b2720
MFCD08051118
STK051404
ZINC000101443313
ZINC000101443315
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