Vitas-M small molecule compound

methyl 2-[({[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK068169
SMILES CCC(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)Nc1ccccc1C(=O)OC

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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 C20H19N3O4S2 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S2/c1-3-17(24)21-12-8-9-15-16(10-12)29-20(23-15)28-11-18(25)22-14-7-5-4-6-13(14)19(26)27-2/h4-10H,3,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKey
VJFINLOJMZMRSJ-UHFFFAOYSA-N
Synonyms
420832-89-9
420832899
CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3C(=O)OC
CCC(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)Nc1ccccc1C(=O)OC
InChI=1SC20H19N3O4S2c1317(24)2112891516(1012)2920(2315)281118(25)2214754613(14)19(26)272h410H311H212H3(H2124)(H2225)
METHYL2((((6(PROPANOYLAMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((6(PROPANOYLAMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2(2((6propionamidobenzo(d)thiazol2yl)thio)acetamido)benzoate
MFCD03134906
STK068169
ZINC000002338477
ZINC02338477
ZINC2338477

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Available files

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