Vitas-M small molecule compound
methyl 8-methyl-6-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK821575
SMILES COC(=O)C1=C(C)N=C2N(C1c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)C(=O)CCS2
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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 C25H21N5O5S MW 503.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O5S/c1-15-21(24(32)35-2)23(29-20(31)11-12-36-25(29)26-15)19-14-28(17-8-4-3-5-9-17)27-22(19)16-7-6-10-18(13-16)30(33)34/h3-10,13-14,23H,11-12H2,1-2H3InChIKey
ZGRQDHWUVGZDSY-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=O)CCSC2=N1)C3=CN(N=C3C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=C2N(C1c1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)C(=O)CCS2
InChI=1SC25H21N5O5Sc11521(24(32)352)23(2920(31)11123625(29)2615)191428(178435917)2722(19)16761018(1316)30(33)34h310131423H1112H212H3
methyl8methyl6(3(3nitrophenyl)1phenyl1Hpyrazol4yl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
methyl8methyl6(3(3nitrophenyl)1phenylpyrazol4yl)4oxo36dihydro2Hpyrimido(21b)(13)thiazine7carboxylate
MFCD03462887
ZINC000026965052
ZINC000026965059
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