Vitas-M small molecule compound
4-[({(Z)-[1-(4-bromo-2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}carbamoyl)amino]phenyl thiocyanate
Catalog ID
STL383132
SMILES N#CSc1ccc(cc1)NC(=O)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1C)Br
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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 C20H14BrN5O4S MW 500.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN5O4S/c1-11-8-12(21)2-7-16(11)26-18(28)15(17(27)25-20(26)30)9-23-19(29)24-13-3-5-14(6-4-13)31-10-22/h2-9H,1H3,(H2,23,24,29)(H,25,27,30)/b15-9-InChIKey
SDAWRCLDDVSLOH-DHDCSXOGSA-NSynonyms
(4(((Z)(1(4BROMO2METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)CARBAMOYLAMINO)PHENYL)THIOCYANATE
4((((Z)(1(4bromo2methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)carbamoyl)amino)phenylthiocyanate
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC(=O)NC3=CC=C(C=C3)SC#N)C(=O)NC2=O
InChI=1SC20H14BrN5O4Sc111812(21)2716(11)2618(28)15(17(27)2520(26)30)92319(29)24133514(6413)311022h29H1H3(H2232429)(H252730)b159
MFCD03549873
N#CSc1ccc(cc1)NC(=O)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1C)Br
N((1(4BROMO2METHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)((4CYANOTHIOPHENYL)AMINO)CARBOXAMIDE
ZINC000016282412
ZINC16282412
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