Vitas-M small molecule compound
4-[({(Z)-[1-(3-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}carbamoyl)amino]-3-methoxyphenyl thiocyanate
Catalog ID
STL295778
SMILES N#CSc1ccc(c(c1)OC)NC(=O)N/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)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 C20H14ClN5O5S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O5S/c1-31-16-8-13(32-10-22)5-6-15(16)24-19(29)23-9-14-17(27)25-20(30)26(18(14)28)12-4-2-3-11(21)7-12/h2-9H,1H3,(H2,23,24,29)(H,25,27,30)/b14-9-InChIKey
YPRMUDDPUZXDLI-ZROIWOOFSA-NSynonyms
(4(((Z)(1(3chlorophenyl)246trioxo13diazinan5ylidene)methyl)carbamoylamino)3methoxyphenyl)thiocyanate
4((((Z)(1(3chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)carbamoyl)amino)3methoxyphenylthiocyanate
COC1=C(C=CC(=C1)SC#N)NC(=O)NC=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl
InChI=1SC20H14ClN5O5Sc13116813(321022)5615(16)2419(29)2391417(27)2520(30)26(18(14)28)1242311(21)712h29H1H3(H2232429)(H252730)b149
MFCD28033137
N#CSc1ccc(c(c1)OC)NC(=O)NC=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Cl
ZINC000095471089
ZINC95471089
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