Vitas-M small molecule compound
2-[(diphenylmethyl)amino]-2-oxoethyl 3-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoate
Catalog ID
STK663874
SMILES O=C(NC(c1ccccc1)c1ccccc1)COC(=O)c1cccc(c1)n1nnnc1SCC(=O)NC(c1ccccc1)c1ccccc1
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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 C38H32N6O4S MW 668.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32N6O4S/c45-33(39-35(27-14-5-1-6-15-27)28-16-7-2-8-17-28)25-48-37(47)31-22-13-23-32(24-31)44-38(41-42-43-44)49-26-34(46)40-36(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-24,35-36H,25-26H2,(H,39,45)(H,40,46)InChIKey
JIMSQKGSLBGWSY-UHFFFAOYSA-NSynonyms
(2(BENZHYDRYLAMINO)2OXOETHYL)3(5(2(BENZHYDRYLAMINO)2OXOETHYL)SULFANYLTETRAZOL1YL)BENZOATE
2((DIPHENYLMETHYL)AMINO)2OXOETHYL3(5((2((DIPHENYLMETHYL)AMINO)2OXOETHYL)SULFANYL)1HTETRAZOL1YL)BENZOATE
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)N4C(=NN=N4)SCC(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC38H32N6O4Sc4533(3935(27145161527)28167281728)254837(47)3122132332(2431)4438(41424344)492634(46)4036(291893101929)3020114122130h1243536H2526H2(H3945)(H4046)
MFCD04061615
ZINC000150384309
ZINC150384309
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