Vitas-M small molecule compound
methyl (2E)-2-{[3-(4-ethoxy-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
STK798378
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C)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 C31H25N5O6S2 MW 627.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O6S2/c1-4-42-23-13-12-19(15-22(23)36(39)40)27-20(17-34(33-27)21-9-6-5-7-10-21)16-25-29(37)35-28(24-11-8-14-43-24)26(30(38)41-3)18(2)32-31(35)44-25/h5-17,28H,4H2,1-3H3/b25-16+InChIKey
JNWPBAZTZPGDLP-PCLIKHOPSA-NSynonyms
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CS5)C6=CC=CC=C6)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C)c1ccccc1
InChI=1SC31H25N5O6S2c144223131219(1522(23)36(39)40)2720(1734(3327)2196571021)162529(37)3528(24118144324)26(30(38)413)18(2)3231(35)4425h51728H4H213H3b2516+
methyl(2E)2((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)2((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03417654
ZINC000098047121
ZINC000098047122
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Check stock on Vitas-MAvailable files
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