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Vitas-M small molecule compound

tert-butyl [(2S)-1-[4-({(2R)-1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate

Catalog ID
STL002286
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)C)C)NC(=O)OC(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 C26H40N4O5S MW 520.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N4O5S/c1-17-7-9-20(10-8-17)28-22(31)18(2)27-23(32)19-11-14-30(15-12-19)24(33)21(13-16-36-6)29-25(34)35-26(3,4)5/h7-10,18-19,21H,11-16H2,1-6H3,(H,27,32)(H,28,31)(H,29,34)/t18-,21+/m1/s1
InChIKey
GVQUBSXHLDSMOK-NQIIRXRSSA-N
Synonyms

CC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(CCSC)NC(=O)OC(C)(C)C
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@@H)(C(=O)Nc1ccc(cc1)C)C)NC(=O)OC(C)(C)C
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)C)C)NC(=O)OC(C)(C)C
InChI=1SC26H40N4O5Sc1177920(10817)2822(31)18(2)2723(32)19111430(151219)24(33)21(1316366)2925(34)3526(34)5h710181921H1116H216H3(H2732)(H2831)(H2934)t1821+m1s1
MFCD05674668
TERTBUTYL((2S)1(4(((2R)1((4METHYLPHENYL)AMINO)1OXOPROPAN2YL)CARBAMOYL)PIPERIDIN1YL)4(METHYLSULFANYL)1OXOBUTAN2YL)CARBAMATE
tertbutyl((S)4(methylthio)1oxo1(4(((S)1oxo1(ptolylamino)propan2yl)carbamoyl)piperidin1yl)butan2yl)carbamate
tertbutylN((2S)1(4(((2R)1(4methylanilino)1oxopropan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000015953706
ZINC15953706

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Available files

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