Vitas-M small molecule compound
2,5-dimethyl-4-({(Z)-[2,4,6-trioxo-1-(2-phenylethyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL380970
SMILES N#CSc1cc(C)c(cc1C)N/C=C\1/C(=O)NC(=O)N(C1=O)CCc1ccccc1
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-14-11-19(30-13-23)15(2)10-18(14)24-12-17-20(27)25-22(29)26(21(17)28)9-8-16-6-4-3-5-7-16/h3-7,10-12,24H,8-9H2,1-2H3,(H,25,27,29)/b17-12-InChIKey
CXUGVLDOJJQVSM-ATVHPVEESA-NSynonyms
(25dimethyl4(((Z)(246trioxo1(2phenylethyl)13diazinan5ylidene)methyl)amino)phenyl)thiocyanate
25dimethyl4(((Z)(246trioxo1(2phenylethyl)tetrahydropyrimidin5(2H)ylidene)methyl)amino)phenylthiocyanate
CC1=CC(=C(C=C1SC#N)C)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3
InChI=1SC22H20N4O3Sc1141119(301323)15(2)1018(14)24121720(27)2522(29)26(21(17)28)98166435716h37101224H89H212H3(H252729)b1712
MFCD28951161
N#CSc1cc(C)c(cc1C)NC=C1C(=O)NC(=O)N(C1=O)CCc1ccccc1
ZINC000098087041
ZINC98087041
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