Vitas-M small molecule compound
methyl (2Z)-2-{[3-(4-ethoxyphenyl)-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
STK798151
SMILES CCOc1ccc(cc1)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 C31H26N4O4S2 MW 582.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O4S2/c1-4-39-23-14-12-20(13-15-23)27-21(18-34(33-27)22-9-6-5-7-10-22)17-25-29(36)35-28(24-11-8-16-40-24)26(30(37)38-3)19(2)32-31(35)41-25/h5-18,28H,4H2,1-3H3/b25-17-InChIKey
MRZISWDMVSMFQB-UQQQWYQISA-NSynonyms
CCOC1=CC=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
CCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C)c1ccccc1
InChI=1SC31H26N4O4S2c143923141220(131523)2721(1834(3327)2296571022)172529(36)3528(24118164024)26(30(37)383)19(2)3231(35)4125h51828H4H213H3b2517
methyl(2Z)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03461875
ZINC000097946151
ZINC000097946152
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