Vitas-M small molecule compound

4-(benzyl{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}amino)-N-(2,4-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide

Catalog ID
STL439411
SMILES COc1cc(OC)ccc1NC(=O)C1(CCN(CC1)C)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1ccccc1

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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 C38H46N4O4 MW 622.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O4/c1-25-34(28-14-10-11-15-30(28)39-25)35-29(37(35,2)3)23-33(43)42(24-26-12-8-7-9-13-26)38(18-20-41(4)21-19-38)36(44)40-31-17-16-27(45-5)22-32(31)46-6/h7-17,22,29,35,39H,18-21,23-24H2,1-6H3,(H,40,44)
InChIKey
TYYREJHFKQVTIJ-UHFFFAOYSA-N
Synonyms

4(benzyl((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)amino)N(24dimethoxyphenyl)1methylpiperidine4carboxamide
4(BENZYL(2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)AMINO)N(24DIMETHOXYPHENYL)1METHYLPIPERIDINE4CARBOXAMIDE
4(NBENZYL2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETAMIDO)N(24DIMETHOXYPHENYL)1METHYLPIPERIDINE4CARBOXAMIDE
CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CC=C4)C5(CCN(CC5)C)C(=O)NC6=C(C=C(C=C6)OC)OC
COc1cc(OC)ccc1NC(=O)C1(CCN(CC1)C)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1ccccc1
InChI=1SC38H46N4O4c12534(281410111530(28)3925)3529(37(352)3)2333(43)42(2426128791326)38(182041(4)211938)36(44)4031171627(455)2232(31)466h71722293539H18212324H216H3(H4044)
MFCD29709800
ZINC000008749375
ZINC000101386235

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Available files

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