Vitas-M small molecule compound

ethyl (2E)-2-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK676232
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C\c1ccc(o1)c1ccc(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 C29H24ClN3O8S MW 610.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O8S/c1-5-40-28(35)25-15(2)31-29-32(26(25)20-13-17(38-3)7-10-22(20)39-4)27(34)24(42-29)14-18-8-11-23(41-18)19-9-6-16(30)12-21(19)33(36)37/h6-14,26H,5H2,1-4H3/b24-14+
InChIKey
JAXKLZHMJMPRPZ-ZVHZXABRSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)(N+)(=O)(O))S2)C
ethyl(2E)2((5(4chloro2nitrophenyl)furan2yl)methylidene)5(25dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((5(4CHLORO2NITROPHENYL)FURAN2YL)METHYLIDENE)5(25DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H24ClN3O8Sc154028(35)2515(2)312932(26(25)201317(383)71022(20)394)27(34)24(4229)141881123(4118)199616(30)1221(19)33(36)37h61426H5H214H3b2414+
MFCD01872728
ZINC000100087888
ZINC000100087893

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.