Vitas-M small molecule compound

N-(2,4-dimethoxyphenyl)-4-[{[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl}(furan-2-ylmethyl)amino]tetrahydro-2H-thiopyran-4-carboxamide

Catalog ID
STL439464
SMILES COc1cc(OC)ccc1NC(=O)C1(CCSCC1)N(C(=O)CC1C(C1(C)C)c1c(C)[nH]c2c1cccc2)Cc1ccco1

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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 C35H41N3O5S MW 615.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O5S/c1-22-31(25-10-6-7-11-27(25)36-22)32-26(34(32,2)3)20-30(39)38(21-24-9-8-16-43-24)35(14-17-44-18-15-35)33(40)37-28-13-12-23(41-4)19-29(28)42-5/h6-13,16,19,26,32,36H,14-15,17-18,20-21H2,1-5H3,(H,37,40)
InChIKey
RIELBYSDIQOIGV-UHFFFAOYSA-N
Synonyms

CC1=C(C2=CC=CC=C2N1)C3C(C3(C)C)CC(=O)N(CC4=CC=CO4)C5(CCSCC5)C(=O)NC6=C(C=C(C=C6)OC)OC
COc1cc(OC)ccc1NC(=O)C1(CCSCC1)N(C(=O)CC1C(C1(C)C)c1c(C)(nH)c2c1cccc2)Cc1ccco1
InChI=1SC35H41N3O5Sc12231(2510671127(25)3622)3226(34(322)3)2030(39)38(212498164324)35(141744181535)33(40)3728131223(414)1929(28)425h6131619263236H141517182021H215H3(H3740)
MFCD29709843
N(24dimethoxyphenyl)4(((22dimethyl3(2methyl1Hindol3yl)cyclopropyl)acetyl)(furan2ylmethyl)amino)tetrahydro2Hthiopyran4carboxamide
N(24DIMETHOXYPHENYL)4((2(22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)ACETYL)(FURAN2YLMETHYL)AMINO)THIANE4CARBOXAMIDE
N(24DIMETHOXYPHENYL)4(2((1R3S)22DIMETHYL3(2METHYL1HINDOL3YL)CYCLOPROPYL)N(FURAN2YLMETHYL)ACETAMIDO)TETRAHYDRO2HTHIOPYRAN4CARBOXAMIDE
ZINC000008749620
ZINC000101386024

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Available files

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