Vitas-M small molecule compound
2-methoxy-4-[(1E)-1-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)ethyl]phenyl 4-chlorobenzoate
Catalog ID
STL004984
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C(=N/NC(=O)CSc1nncn1C)/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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-13(24-25-19(28)11-32-21-26-23-12-27(21)2)15-6-9-17(18(10-15)30-3)31-20(29)14-4-7-16(22)8-5-14/h4-10,12H,11H2,1-3H3,(H,25,28)/b24-13+InChIKey
SIQRFZLLPURLQX-ZMOGYAJESA-NSynonyms
847163-29-5(2methoxy4((E)CmethylN((2((4methyl124triazol3yl)sulfanyl)acetyl)amino)carbonimidoyl)phenyl)4chlorobenzoate
(E)2methoxy4(1(2(2((4methyl4H124triazol3yl)thio)acetyl)hydrazono)ethyl)phenyl4chlorobenzoate
2methoxy4((1E)1(2(((4methyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenyl4chlorobenzoate
847163295
CC(=NNC(=O)CSC1=NN=CN1C)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C(=NNC(=O)CSc1nncn1C)C
InChI=1SC21H20ClN5O4Sc113(242519(28)11322126231227(21)2)156917(18(1015)303)3120(29)144716(22)8514h41012H11H213H3(H2528)b2413+
MFCD03329606
ZINC000009109103
ZINC34689982
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