Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798827
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/s2)C(=O)OC(C)C
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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 C34H29N5O6S MW 635.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N5O6S/c1-20(2)45-33(41)29-21(3)35-34-38(31(29)22-13-15-27(44-4)16-14-22)32(40)28(46-34)18-24-19-37(25-10-6-5-7-11-25)36-30(24)23-9-8-12-26(17-23)39(42)43/h5-20,31H,1-4H3/b28-18-InChIKey
GQTMLAQIRBJCCQ-VEILYXNESA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)s2)C(=O)OC(C)C
InChI=1SC34H29N5O6Sc120(2)4533(41)2921(3)353438(31(29)22131527(444)161422)32(40)28(4634)18241937(25106571125)3630(24)23981226(1723)39(42)43h52031H14H3b2818
MFCD03462094
propan2yl(2Z)5(4methoxyphenyl)7methyl2((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL2((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000150398537
ZINC000150398539
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