Vitas-M small molecule compound
2-methoxy-4-[(E)-({3-[3-(propan-2-yloxy)phenyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}imino)methyl]phenyl acetate
Catalog ID
STK573725
SMILES COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-13(2)28-17-7-5-6-16(11-17)20-23-24-21(30)25(20)22-12-15-8-9-18(29-14(3)26)19(10-15)27-4/h5-13H,1-4H3,(H,24,30)/b22-12+InChIKey
WSQBVURNQWKGJC-WSDLNYQXSA-NSynonyms
575470-88-1(2METHOXY4((E)(3(3PROPAN2YLOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
2methoxy4((E)((3(3(propan2yloxy)phenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenylacetate
4((1E)2(5(3(METHYLETHOXY)PHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)2METHOXYPHENYLACETATE
575470881
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OC(=O)C)OC
COc1cc(ccc1OC(=O)C)C=Nn1c(=S)(nH)nc1c1cccc(c1)OC(C)C
InChI=1SC21H22N4O4Sc113(2)281775616(1117)20232421(30)25(20)2212158918(2914(3)26)19(1015)274h513H14H3(H2430)b2212+
MFCD07207383
ZINC000016996377
ZINC33364105
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