Vitas-M small molecule compound
4-[({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}carbamoyl)amino]-3-methylphenyl thiocyanate
Catalog ID
STL295776
SMILES N#CSc1ccc(c(c1)C)NC(=O)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C20H14ClN5O4S MW 455.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O4S/c1-11-8-14(31-10-22)6-7-16(11)24-19(29)23-9-15-17(27)25-20(30)26(18(15)28)13-4-2-12(21)3-5-13/h2-9H,1H3,(H2,23,24,29)(H,25,27,30)/b15-9-InChIKey
HWHQOHCJMCUOSJ-DHDCSXOGSA-NSynonyms
(((1(4CHLOROPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)N(4CYANOTHIO2METHYLPHENYL)CARBOXAMIDE
(4(((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)carbamoylamino)3methylphenyl)thiocyanate
4((((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)carbamoyl)amino)3methylphenylthiocyanate
CC1=C(C=CC(=C1)SC#N)NC(=O)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI=1SC20H14ClN5O4Sc111814(311022)6716(11)2419(29)2391517(27)2520(30)26(18(15)28)134212(21)3513h29H1H3(H2232429)(H252730)b159
MFCD03549845
N#CSc1ccc(c(c1)C)NC(=O)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
ZINC000016282551
ZINC16282551
Check stock
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