Vitas-M small molecule compound
methyl 4-[(E)-{[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK599192
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-26-15-9-14(10-16(27-2)17(15)28-3)18-22-23-20(30)24(18)21-11-12-5-7-13(8-6-12)19(25)29-4/h5-11H,1-4H3,(H,23,30)/b21-11+InChIKey
QCXVLIINJZSEJL-SRZZPIQSSA-NSynonyms
499182-54-6499182546
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1cc(OC)c(c(c1)OC)OC
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)OC
InChI=1SC20H20N4O5Sc12615914(1016(272)17(15)283)18222320(30)24(18)2111125713(8612)19(25)294h511H14H3(H2330)b2111+
METHYL4((1E)2(3SULFANYL5(345TRIMETHOXYPHENYL)(124TRIAZOL4YL))2AZAVINYL)BENZOATE
methyl4((E)((5thioxo3(345trimethoxyphenyl)15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(5SULFANYLIDENE3(345TRIMETHOXYPHENYL)1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD07205726
ZINC000009331901
ZINC33341751
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