Vitas-M small molecule compound

2-{[6-(acetylamino)-1,3-benzothiazol-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

Catalog ID
STK014777
SMILES COc1cc(CCNC(=O)CSc2nc3c(s2)cc(cc3)NC(=O)C)ccc1OC

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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 C21H23N3O4S2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S2/c1-13(25)23-15-5-6-16-19(11-15)30-21(24-16)29-12-20(26)22-9-8-14-4-7-17(27-2)18(10-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKey
QAUYDXAOLJDNKD-UHFFFAOYSA-N
Synonyms
425650-96-0
2((6(ACETYLAMINO)13BENZOTHIAZOL2YL)SULFANYL)N(2(34DIMETHOXYPHENYL)ETHYL)ACETAMIDE
2((6ACETAMIDO13BENZOTHIAZOL2YL)SULFANYL)N(2(34DIMETHOXYPHENYL)ETHYL)ACETAMIDE
2((6acetamidobenzo(d)thiazol2yl)thio)N(34dimethoxyphenethyl)acetamide
2(6(ACETYLAMINO)BENZOTHIAZOL2YLTHIO)N(2(34DIMETHOXYPHENYL)ETHYL)ACETAMIDE
425650960
CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC
COc1cc(CCNC(=O)CSc2nc3c(s2)cc(cc3)NC(=O)C)ccc1OC
InChI=1SC21H23N3O4S2c113(25)2315561619(1115)3021(2416)291220(26)2298144717(272)18(1014)283h471011H8912H213H3(H2226)(H2325)
MFCD02801098
STK014777
ZINC000000660360
ZINC00660360
ZINC660360

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Available files

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