Vitas-M small molecule compound

5-(1,3-benzothiazol-2-yl)-2-(pyridin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK266435
SMILES O=C1c2cc(ccc2C(=O)N1Cc1cccnc1)c1nc2c(s1)cccc2

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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 C21H13N3O2S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O2S/c25-20-15-8-7-14(19-23-17-5-1-2-6-18(17)27-19)10-16(15)21(26)24(20)12-13-4-3-9-22-11-13/h1-11H,12H2
InChIKey
CDXLVABBZDWUIQ-UHFFFAOYSA-N
Synonyms
712322-99-1
5(13benzothiazol2yl)2(pyridin3ylmethyl)1Hisoindole13(2H)dione
5(13BENZOTHIAZOL2YL)2(PYRIDIN3YLMETHYL)ISOINDOLE13DIONE
712322991
C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5
InChI=1SC21H13N3O2Sc2520158714(192317512618(17)2719)1016(15)21(26)24(20)1213439221113h111H12H2
MFCD03899266
ZINC000001124742
ZINC01124742
ZINC1124742

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Available files

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