Vitas-M small molecule compound
methyl (2Z)-7-methyl-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798407
SMILES C=CCOc1ccc(cc1C)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 C33H28N4O4S2 MW 608.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N4O4S2/c1-5-15-41-25-14-13-22(17-20(25)2)29-23(19-36(35-29)24-10-7-6-8-11-24)18-27-31(38)37-30(26-12-9-16-42-26)28(32(39)40-4)21(3)34-33(37)43-27/h5-14,16-19,30H,1,15H2,2-4H3/b27-18-InChIKey
WGJWTCMRKFMMFT-IMRQLAEWSA-NSynonyms
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CS5)C6=CC=CC=C6)OCC=C
InChI=1SC33H28N4O4S2c15154125141322(1720(25)2)2923(1936(3529)24107681124)182731(38)3730(26129164226)28(32(39)404)21(3)3433(37)4327h514161930H115H224H3b2718
methyl(2Z)7methyl2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)7METHYL2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03461966
ZINC000097946169
ZINC000097946170
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