Vitas-M small molecule compound

3-methyl-N-[5-(3-nitrobenzyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide

Catalog ID
STL069867
SMILES O=C(C1(C)OC(=O)c2c(C1)cccc2)Nc1ncc(s1)Cc1cccc(c1)[N+](=O)[O-]

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-21(11-14-6-2-3-8-17(14)18(25)29-21)19(26)23-20-22-12-16(30-20)10-13-5-4-7-15(9-13)24(27)28/h2-9,12H,10-11H2,1H3,(H,22,23,26)
InChIKey
BDBJJUMILFESAV-UHFFFAOYSA-N
Synonyms
714243-72-8
(3METHYL1OXOISOCHROMAN3YL)N(5((3NITROPHENYL)METHYL)(13THIAZOL2YL))CARBOXAMIDE
3METHYLN(5((3NITROPHENYL)METHYL)13THIAZOL2YL)1OXO4HISOCHROMENE3CARBOXAMIDE
3methylN(5(3nitrobenzyl)13thiazol2yl)1oxo34dihydro1Hisochromene3carboxamide
3methylN(5(3nitrobenzyl)thiazol2yl)1oxoisochroman3carboxamide
714243728
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H17N3O5Sc121(1114623817(14)18(25)2921)19(26)2320221216(3020)101354715(913)24(27)28h2912H1011H21H3(H222326)
MFCD04156834
O=C(C1(C)OC(=O)c2c(C1)cccc2)Nc1ncc(s1)Cc1cccc(c1)(N+)(=O)(O)
ZINC000009192153
ZINC000009192154

Check stock

See real-time availability and sample size for STL069867 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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