Vitas-M small molecule compound
4-{(1E)-1-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Catalog ID
STK106264
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccc(cc2)OC(=O)C)\C)nnc1c1ccc(cc1)C(C)(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 C31H33N5O4S MW 571.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O4S/c1-20(22-9-15-27(16-10-22)40-21(2)37)32-33-28(38)19-41-30-35-34-29(23-7-11-24(12-8-23)31(3,4)5)36(30)25-13-17-26(39-6)18-14-25/h7-18H,19H2,1-6H3,(H,33,38)/b32-20+InChIKey
DTPFAWORUKQHDW-UZWMFBFFSA-NSynonyms
(4((E)N((2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)CMETHYLCARBONIMIDOYL)PHENYL)ACETATE
(E)4(1(2(2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetyl)hydrazono)ethyl)phenylacetate
4((1E)1(2(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)ETHYL)PHENYLACETATE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC(=O)C
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc(cc2)OC(=O)C)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC31H33N5O4Sc120(2291527(161022)4021(2)37)323328(38)194130353429(2371124(12823)31(34)5)36(30)25131726(396)181425h718H19H216H3(H3338)b3220+
MFCD03220032
ZINC000097959548
ZINC101509526
Check stock
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Check stock on Vitas-MAvailable files
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