Vitas-M small molecule compound
4-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methoxyphenyl thiocyanate
Catalog ID
STL295713
SMILES N#CSc1ccc(c(c1)OC)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)I)C
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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 C19H15IN4O2S MW 490.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15IN4O2S/c1-12-16(19(25)24(23-12)14-5-3-13(20)4-6-14)10-22-17-8-7-15(27-11-21)9-18(17)26-2/h3-10,22H,1-2H3/b16-10+InChIKey
QZDHYTUDOLLQJN-MHWRWJLKSA-NSynonyms
(4(((E)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)3methoxyphenyl)thiocyanate
4(((E)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3methoxyphenylthiocyanate
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)SC#N)OC)C3=CC=C(C=C3)I
InChI=1SC19H15IN4O2Sc11216(19(25)24(2312)145313(20)4614)1022178715(271121)918(17)262h31022H12H3b1610+
MFCD28033096
N#CSc1ccc(c(c1)OC)NC=C1C(=NN(C1=O)c1ccc(cc1)I)C
ZINC000101122436
ZINC08425499
ZINC101122436
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