Vitas-M small molecule compound

methyl 4-methoxy-3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK780913
SMILES COC(=O)c1[nH]c2c(c1NC(=O)Cn1c(=O)sc3c1cccc3)c(OC)ccc2

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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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c1-27-13-8-5-6-11-16(13)17(18(21-11)19(25)28-2)22-15(24)10-23-12-7-3-4-9-14(12)29-20(23)26/h3-9,21H,10H2,1-2H3,(H,22,24)
InChIKey
JPLGSWFGOJCSMA-UHFFFAOYSA-N
Synonyms

COC(=O)c1(nH)c2c(c1NC(=O)Cn1c(=O)sc3c1cccc3)c(OC)ccc2
COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CN3C4=CC=CC=C4SC3=O
InChI=1SC20H17N3O5Sc127138561116(13)17(18(2111)19(25)282)2215(24)102312734914(12)2920(23)26h3921H10H212H3(H2224)
methyl4methoxy3(((2oxo13benzothiazol3(2H)yl)acetyl)amino)1Hindole2carboxylate
METHYL4METHOXY3((2(2OXO13BENZOTHIAZOL3YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
MFCD06014007
ZINC000001432376
ZINC01432376
ZINC1432376

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Available files

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