Vitas-M small molecule compound
2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]acetohydrazide
Catalog ID
STK540079
SMILES COc1cc(OC)ccc1/C(=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br)/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 C21H22BrN5O3S MW 504.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O3S/c1-13(17-9-8-16(29-3)11-18(17)30-4)23-24-19(28)12-31-21-26-25-20(27(21)2)14-6-5-7-15(22)10-14/h5-11H,12H2,1-4H3,(H,24,28)/b23-13+InChIKey
XNRGNCPSDCSDLN-YDZHTSKRSA-NSynonyms
347907-98-6(E)2((5(3bromophenyl)4methyl4H124triazol3yl)thio)N(1(24dimethoxyphenyl)ethylidene)acetohydrazide
2((5(3bromophenyl)4methyl124triazol3yl)sulfanyl)N((E)1(24dimethoxyphenyl)ethylideneamino)acetamide
2((5(3bromophenyl)4methyl4H124triazol3yl)sulfanyl)N((1E)1(24dimethoxyphenyl)ethylidene)acetohydrazide
347907986
CC(=NNC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)Br)C3=C(C=C(C=C3)OC)OC
COc1cc(OC)ccc1C(=NNC(=O)CSc1nnc(n1C)c1cccc(c1)Br)C
InChI=1SC21H22BrN5O3Sc113(179816(293)1118(17)304)232419(28)123121262520(27(21)2)1465715(22)1014h511H12H214H3(H2428)b2313+
MFCD02609838
ZINC000013537069
ZINC33931064
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