Vitas-M small molecule compound

tert-butyl [(1S)-1-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate

Catalog ID
STL054372
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)[C@H](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 C25H26BrN5O4S MW 572.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN5O4S/c1-25(2,3)35-23(33)29-20(12-15-13-27-19-7-5-4-6-18(15)19)22-30-31-24(34-22)36-14-21(32)28-17-10-8-16(26)9-11-17/h4-11,13,20,27H,12,14H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
InChIKey
UANVYOHRRYKVMU-FQEVSTJZSA-N
Synonyms

(S)tertbutyl(1(5((2((4bromophenyl)amino)2oxoethyl)thio)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)Br
InChI=1SC25H26BrN5O4Sc125(23)3523(33)2920(1215132719754618(15)19)22303124(3422)361421(32)281710816(26)91117h411132027H1214H213H3(H2832)(H2933)t20m0s1
MFCD04025815
O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)OC(C)(C)C
tertbutyl((1S)1(5((2((4bromophenyl)amino)2oxoethyl)sulfanyl)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
TERTBUTYLN((1S)1(5(2(4BROMOANILINO)2OXOETHYL)SULFANYL134OXADIAZOL2YL)2(1HINDOL3YL)ETHYL)CARBAMATE
ZINC000001275260
ZINC01275260
ZINC1275260

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.