Vitas-M small molecule compound
N'-{(E)-[4,6-dioxo-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Catalog ID
STK579912
SMILES COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S
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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 C21H20N4O6S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6S/c1-29-15-9-13(10-16(30-2)17(15)31-3)25-20(28)14(19(27)23-21(25)32)11-22-24-18(26)12-7-5-4-6-8-12/h4-11,22H,1-3H3,(H,24,26)(H,23,27,32)/b14-11+InChIKey
HKBDRGUCKDAUGK-SDNWHVSQSA-NSynonyms
COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CNNC(=O)C3=CC=CC=C3)C(=O)NC2=S
COc1c(OC)cc(cc1OC)N1C(=NC(=O)C(=CNNC(=O)c2ccccc2)C1=O)S
InChI=1SC21H20N4O6Sc12915913(1016(302)17(15)313)2520(28)14(19(27)2321(25)32)11222418(26)127546812h41122H13H3(H2426)(H232732)b1411+
MFCD07201082
N((E)(46dioxo2sulfanyl1(345trimethoxyphenyl)16dihydropyrimidin5(4H)ylidene)methyl)benzohydrazide
N((E)(46DIOXO2SULFANYLIDENE1(345TRIMETHOXYPHENYL)13DIAZINAN5YLIDENE)METHYL)BENZOHYDRAZIDE
ZINC000013802113
ZINC13802113
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