Vitas-M small molecule compound
ethyl (2E)-2-[3-bromo-4-(dimethylamino)benzylidene]-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK675082
SMILES CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1ccc(c(c1)Br)N(C)C)/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 C35H30BrN3O4S MW 668.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30BrN3O4S/c1-5-43-34(41)30-31(23-12-7-6-8-13-23)37-35-39(32(30)29-24-14-10-9-11-22(24)16-18-27(29)42-4)33(40)28(44-35)20-21-15-17-26(38(2)3)25(36)19-21/h6-20,32H,5H2,1-4H3/b28-20+InChIKey
SLXXJNBWQGPXAU-VFCFBJKWSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1ccc(c(c1)Br)N(C)C)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC(=C(C=C5)N(C)C)Br)S2)C6=CC=CC=C6
ETHYL(2E)2((3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(3bromo4(dimethylamino)benzylidene)5(2methoxynaphthalen1yl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(3BROMO4(DIMETHYLAMINO)BENZYLIDENE)5(2METHOXY1NAPHTHYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC35H30BrN3O4Sc154334(41)3031(23127681323)373539(32(30)2924141091122(24)161827(29)424)33(40)28(4435)2021151726(38(2)3)25(36)1921h62032H5H214H3b2820+
MFCD01572542
ZINC000008425469
ZINC000008425471
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