Vitas-M small molecule compound
methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794332
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)(C)C)c(=O)/c(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/s2
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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 C30H27N3O6S MW 557.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O6S/c1-17-25(28(35)38-5)26(18-9-11-20(12-10-18)30(2,3)4)32-27(34)24(40-29(32)31-17)16-22-13-14-23(39-22)19-7-6-8-21(15-19)33(36)37/h6-16,26H,1-5H3/b24-16+InChIKey
HAKRIPZRSKONAJ-LFVJCYFKSA-NSynonyms
(E)methyl5(4(tertbutyl)phenyl)7methyl2((5(3nitrophenyl)furan2yl)methylene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))SC2=N1)C5=CC=C(C=C5)C(C)(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)(C)C)c(=O)c(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))s2
InChI=1SC30H27N3O6Sc11725(28(35)385)26(1891120(121018)30(23)4)3227(34)24(4029(32)3117)1622131423(3922)1976821(1519)33(36)37h61626H15H3b2416+
methyl(2E)5(4tertbutylphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4tertbutylphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL5(4(TERTBUTYL)PHENYL)7METHYL2((5(3NITROPHENYL)(2FURYL))METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03285757
ZINC000100841923
ZINC000100841924
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