Vitas-M small molecule compound
methyl 2-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}-4,5-dimethoxybenzoate
Catalog ID
STK741870
SMILES COC(=O)c1cc(OC)c(cc1NC(=S)N1CCC(CC1)(C(=O)N)N1CCCCC1)OC
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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 C22H32N4O5S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O5S/c1-29-17-13-15(19(27)31-3)16(14-18(17)30-2)24-21(32)25-11-7-22(8-12-25,20(23)28)26-9-5-4-6-10-26/h13-14H,4-12H2,1-3H3,(H2,23,28)(H,24,32)InChIKey
STXOTRROGSLHOA-UHFFFAOYSA-NSynonyms
717832-07-0717832070
COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)OC
InChI=1SC22H32N4O5Sc129171315(19(27)313)16(1418(17)302)2421(32)2511722(8122520(23)28)2695461026h1314H412H213H3(H22328)(H2432)
METHYL2(((4(AMINOCARBONYL)41BIPIPERIDIN1YL)CARBOTHIOYL)AMINO)45DIMETHOXYBENZOATE
methyl2(((4carbamoyl14bipiperidin1yl)carbonothioyl)amino)45dimethoxybenzoate
METHYL2((4CARBAMOYL4PIPERIDIN1YLPIPERIDINE1CARBOTHIOYL)AMINO)45DIMETHOXYBENZOATE
methyl2(4carbamoyl(14bipiperidine)1carbothioamido)45dimethoxybenzoate
MFCD06006666
ZINC000009293714
ZINC9293714
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