Vitas-M small molecule compound

methyl (2E)-[(2Z)-2-({5-[(4-methylphenyl)carbamoyl]-1H-imidazol-4-yl}imino)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]ethanoate

Catalog ID
STL447616
SMILES C=CCN1/C(=N/c2nc[nH]c2C(=O)Nc2ccc(cc2)C)/S/C(=C/C(=O)OC)/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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-4-9-25-19(28)14(10-15(26)29-3)30-20(25)24-17-16(21-11-22-17)18(27)23-13-7-5-12(2)6-8-13/h4-8,10-11H,1,9H2,2-3H3,(H,21,22)(H,23,27)/b14-10+,24-20-
InChIKey
UJAPKKQFQKNTKN-AQZKKQPLSA-N
Synonyms

C=CCN1C(=Nc2nc(nH)c2C(=O)Nc2ccc(cc2)C)SC(=CC(=O)OC)C1=O
CC1=CC=C(C=C1)NC(=O)C2=C(N=CN2)N=C3N(C(=O)C(=CC(=O)OC)S3)CC=C
InChI=1SC20H19N5O4Sc1492519(28)14(1015(26)293)3020(25)241716(21112217)18(27)23137512(2)6813h481011H19H223H3(H2122)(H2327)b1410+2420
methyl(2E)((2Z)2((5((4methylphenyl)carbamoyl)1Himidazol4yl)imino)4oxo3(prop2en1yl)13thiazolidin5ylidene)ethanoate
methyl(2E)2((2Z)2((5((4methylphenyl)carbamoyl)1Himidazol4yl)imino)4oxo3prop2enyl13thiazolidin5ylidene)acetate
MFCD06240414
ZINC000008695034

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Available files

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