Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798962
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OCC)c1ccccc1)/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 C36H31N5O7S MW 677.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N5O7S/c1-5-18-48-35(43)31-22(3)37-36-40(33(31)23-12-15-27(46-4)16-13-23)34(42)30(49-36)20-25-21-39(26-10-8-7-9-11-26)38-32(25)24-14-17-29(47-6-2)28(19-24)41(44)45/h5,7-17,19-21,33H,1,6,18H2,2-4H3/b30-20-InChIKey
OHTDDMXWVUOEIO-COEJQBHMSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OCC)c1ccccc1)s2
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)(N+)(=O)(O)
InChI=1SC36H31N5O7Sc15184835(43)3122(3)373640(33(31)23121527(464)161323)34(42)30(4936)20252139(26108791126)3832(25)24141729(4762)28(1924)41(44)45h5717192133H1618H224H3b3020
MFCD03462162
prop2en1yl(2Z)2((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000150398780
ZINC000150398782
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