Vitas-M small molecule compound
ethyl 4-[({[4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL111930
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1c1csc2c1CCCC2
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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 C24H26N4O3S2 MW 482.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S2/c1-3-13-28-22(19-14-32-20-8-6-5-7-18(19)20)26-27-24(28)33-15-21(29)25-17-11-9-16(10-12-17)23(30)31-4-2/h3,9-12,14H,1,4-8,13,15H2,2H3,(H,25,29)InChIKey
XTZNFIWJCNPHCH-UHFFFAOYSA-NSynonyms
638144-65-7638144657
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CSC4=C3CCCC4
ethyl4((((4(prop2en1yl)5(4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((4prop2enyl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)acetyl)amino)benzoate
ethyl4(2((4allyl5(4567tetrahydrobenzo(b)thiophen3yl)4H124triazol3yl)thio)acetamido)benzoate
InChI=1SC24H26N4O3S2c13132822(19143220865718(19)20)262724(28)331521(29)251711916(101217)23(30)3142h391214H1481315H22H3(H2529)
MFCD03866747
ZINC000000644875
ZINC00644875
ZINC644875
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