Vitas-M small molecule compound
ethyl (2Z)-2-({5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL174225
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])Cl)/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 C28H22ClN3O7S MW 580.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O7S/c1-3-37-27(34)24-16(2)30-28-31(25(24)17-7-5-4-6-8-17)26(33)23(40-28)14-19-10-11-20(39-19)15-38-22-12-9-18(29)13-21(22)32(35)36/h4-14,25H,3,15H2,1-2H3/b23-14-InChIKey
JDDOVRRLPJMCPB-UCQKPKSFSA-NSynonyms
445245-13-6445245136
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)COc1ccc(cc1(N+)(=O)(O))Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(O4)COC5=C(C=C(C=C5)Cl)(N+)(=O)(O))S2)C
ethyl(2Z)2((5((4chloro2nitrophenoxy)methyl)furan2yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5((4CHLORO2NITROPHENOXY)METHYL)FURAN2YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((5((4CHLORO2NITROPHENOXY)METHYL)2FURYL)METHYLENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H22ClN3O7Sc133727(34)2416(2)302831(25(24)177546817)26(33)23(4028)1419101120(3919)15382212918(29)1321(22)32(35)36h41425H315H212H3b2314
MFCD02373975
ZINC000002110260
ZINC000002110265
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