Vitas-M small molecule compound
ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL296346
SMILES C=CCn1cc(c2c1cccc2)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)SC)C(=O)OCC)C
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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 C29H27N3O3S2 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S2/c1-5-15-31-17-20(22-9-7-8-10-23(22)31)16-24-27(33)32-26(19-11-13-21(36-4)14-12-19)25(28(34)35-6-2)18(3)30-29(32)37-24/h5,7-14,16-17,26H,1,6,15H2,2-4H3/b24-16-InChIKey
DFJGZFHHEAFSEC-JLPGSUDCSA-NSynonyms
(Z)ethyl2((1allyl1Hindol3yl)methylene)7methyl5(4(methylthio)phenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCn1cc(c2c1cccc2)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)SC)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC=C)S2)C
ethyl(2Z)7methyl5(4(methylsulfanyl)phenyl)3oxo2((1(prop2en1yl)1Hindol3yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL5(4METHYLSULFANYLPHENYL)3OXO2((1PROP2ENYLINDOL3YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1ALLYL1HINDOL3YL)METHYLENE)7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H27N3O3S2c1515311720(229781023(22)31)162427(33)3226(19111321(364)141219)25(28(34)3562)18(3)3029(32)3724h5714161726H1615H224H3b2416
MFCD01592856
ZINC000002182231
ZINC000002185093
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