Vitas-M small molecule compound
4-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-3-methoxyphenyl thiocyanate
Catalog ID
STL295859
SMILES N#CSc1ccc(c(c1)OC)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 C19H13ClN4O4S MW 428.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN4O4S/c1-28-16-8-13(29-10-21)6-7-15(16)22-9-14-17(25)23-19(27)24(18(14)26)12-4-2-11(20)3-5-12/h2-9,22H,1H3,(H,23,25,27)/b14-9-InChIKey
AUEUYHAHYNNBKU-ZROIWOOFSA-NSynonyms
(4(((Z)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)3METHOXYPHENYL)THIOCYANATE
4(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methoxyphenylthiocyanate
COC1=C(C=CC(=C1)SC#N)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI=1SC19H13ClN4O4Sc12816813(291021)6715(16)2291417(25)2319(27)24(18(14)26)124211(20)3512h2922H1H3(H232527)b149
MFCD01133024
N#CSc1ccc(c(c1)OC)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
ZINC000008440840
ZINC08440840
ZINC8440840
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