Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK983224
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/1\c3ccccc3N(C1=O)C(=O)C)/s2
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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 C25H19N3O5S2 MW 505.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O5S2/c1-4-11-33-24(32)18-13(2)26-25-28(20(18)17-10-7-12-34-17)23(31)21(35-25)19-15-8-5-6-9-16(15)27(14(3)29)22(19)30/h4-10,12,20H,1,11H2,2-3H3/b21-19-InChIKey
GUBJGKYTILGSJD-VZCXRCSSSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=C1c3ccccc3N(C1=O)C(=O)C)s2
CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4N(C3=O)C(=O)C)SC2=N1)C5=CC=CS5)C(=O)OCC=C
InChI=1SC25H19N3O5S2c14113324(32)1813(2)262528(20(18)17107123417)23(31)21(3525)1915856916(15)27(14(3)29)22(19)30h4101220H111H223H3b2119
MFCD03088928
prop2en1yl(2Z)2(1acetyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2EN1YL2(1ACETYL2OXO23DIHYDRO1HINDOL3YLIDENE)7METHYL3OXO5(THIOPHEN2YL)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
prop2enyl(2Z)2(1acetyl2oxoindol3ylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000002673142
ZINC000002673144
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