Vitas-M small molecule compound

tert-butyl [(1S)-1-(6-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl]carbamate

Catalog ID
STK577893
SMILES O=C(OC(C)(C)C)N[C@H](c1nnc2n1nc(s2)SCC(=O)N(C)C)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 C20H26N6O3S2 MW 462.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O3S2/c1-20(2,3)29-18(28)21-14(11-13-9-7-6-8-10-13)16-22-23-17-26(16)24-19(31-17)30-12-15(27)25(4)5/h6-10,14H,11-12H2,1-5H3,(H,21,28)/t14-/m0/s1
InChIKey
JZAVFGHGPRRPHK-AWEZNQCLSA-N
Synonyms
1173662-92-4
(S)tertbutyl(1(6((2(dimethylamino)2oxoethyl)thio)(124)triazolo(34b)(134)thiadiazol3yl)2phenylethyl)carbamate
1173662924
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2=NN=C3N2N=C(S3)SCC(=O)N(C)C
InChI=1SC20H26N6O3S2c120(23)2918(28)2114(111397681013)1622231726(16)2419(3117)301215(27)25(4)5h61014H1112H215H3(H2128)t14m0s1
MFCD06593869
O=C(OC(C)(C)C)N(C@H)(c1nnc2n1nc(s2)SCC(=O)N(C)C)Cc1ccccc1
tertbutyl((1S)1(6((2(dimethylamino)2oxoethyl)sulfanyl)(124)triazolo(34b)(134)thiadiazol3yl)2phenylethyl)carbamate
TERTBUTYLN((1S)1(6(2(DIMETHYLAMINO)2OXOETHYL)SULFANYL(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)2PHENYLETHYL)CARBAMATE
ZINC000002431843
ZINC02431843
ZINC2431843

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Available files

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