Vitas-M small molecule compound

N-[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

Catalog ID
STK006918
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc(s1)NC(=O)CCc1ccccc1

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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 C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-2-28-17-11-9-16(10-12-17)22-19(27)14-29-21-25-24-20(30-21)23-18(26)13-8-15-6-4-3-5-7-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,22,27)(H,23,24,26)
InChIKey
UWJHXVJAEJXRJC-UHFFFAOYSA-N
Synonyms
477213-42-6
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3
CCOc1ccc(cc1)NC(=O)CSc1nnc(s1)NC(=O)CCc1ccccc1
InChI=1SC21H22N4O3S2c12281711916(101217)2219(27)142921252420(3021)2318(26)138156435715h37912H281314H21H3(H2227)(H232426)
MFCD03356284
N((2E)5((2((4ETHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2(3H)YLIDENE)3PHENYLPROPANAMIDE
N(5((2((4ETHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)134THIADIAZOL2YL)3PHENYLPROPANAMIDE
N(5((2((4ethoxyphenyl)amino)2oxoethyl)thio)134thiadiazol2yl)3phenylpropanamide
N(5(2(4ETHOXYANILINO)2OXOETHYL)SULFANYL134THIADIAZOL2YL)3PHENYLPROPANAMIDE
STK006918
ZINC000009012977
ZINC09012977
ZINC9012977

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Available files

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