Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798150
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OC)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 C30H23N5O6S2 MW 613.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N5O6S2/c1-17-25(29(37)41-3)27(23-10-7-13-42-23)34-28(36)24(43-30(34)31-17)15-19-16-33(20-8-5-4-6-9-20)32-26(19)18-11-12-22(40-2)21(14-18)35(38)39/h4-16,27H,1-3H3/b24-15-InChIKey
CJGVUWPFGSXJBA-IWIPYMOSSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)(N+)(=O)(O))C5=CC=CC=C5)SC2=N1)C6=CC=CS6)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OC)c1ccccc1)s2
InChI=1SC30H23N5O6S2c11725(29(37)413)27(23107134223)3428(36)24(4330(34)3117)15191633(208546920)3226(19)18111222(402)21(1418)35(38)39h41627H13H3b2415
methyl(2Z)2((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03461874
ZINC000098047119
ZINC000098047120
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