Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK810766
SMILES CCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)c2cccs2)C(=O)OCC=C)C)/C1=O
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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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c1-4-12-28-17-10-7-6-9-16(17)20(23(28)30)22-24(31)29-21(18-11-8-14-34-18)19(25(32)33-13-5-2)15(3)27-26(29)35-22/h5-11,14,21H,2,4,12-13H2,1,3H3/b22-20-InChIKey
QLSSEEPSCXRBEQ-XDOYNYLZSA-NSynonyms
CCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=CS5)C1=O
CCCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)c2cccs2)C(=O)OCC=C)C)C1=O
InChI=1SC26H23N3O4S2c141228171076916(17)20(23(28)30)2224(31)2921(18118143418)19(25(32)331352)15(3)2726(29)3522h5111421H241213H213H3b2220
MFCD02978181
prop2en1yl(2Z)7methyl3oxo2(2oxo1propyl12dihydro3Hindol3ylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
prop2enyl(2Z)7methyl3oxo2(2oxo1propylindol3ylidene)5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000012601805
ZINC000012601808
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