Vitas-M small molecule compound
tert-butyl {1-[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl}carbamate
Catalog ID
STL155653
SMILES O=C(Nc1ccc(cc1C)C)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)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 C27H31N5O4S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4S/c1-16-10-11-20(17(2)12-16)29-23(33)15-37-26-32-31-24(35-26)22(30-25(34)36-27(3,4)5)13-18-14-28-21-9-7-6-8-19(18)21/h6-12,14,22,28H,13,15H2,1-5H3,(H,29,33)(H,30,34)InChIKey
GIRKJMJZENAKDX-UHFFFAOYSA-NSynonyms
(S)tertbutyl(1(5((2((24dimethylphenyl)amino)2oxoethyl)thio)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C)C
InChI=1SC27H31N5O4Sc116101120(17(2)1216)2923(33)153726323124(3526)22(3025(34)3627(34)5)1318142821976819(18)21h612142228H1315H215H3(H2933)(H3034)
MFCD20757380
O=C(Nc1ccc(cc1C)C)CSc1nnc(o1)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)OC(C)(C)C
O=C(Nc1ccc(cc1C)C)CSc1nnc(o1)C(Cc1c(nH)c2c1cccc2)NC(=O)OC(C)(C)C
tertbutyl(1(5((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
TERTBUTYLN(1(5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL134OXADIAZOL2YL)2(1HINDOL3YL)ETHYL)CARBAMATE
ZINC000002385453
ZINC000015987256
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Check stock on Vitas-MAvailable files
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