Vitas-M small molecule compound
5-(1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK266410
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)c2c1cc(cc2)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 C21H11N3O4S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11N3O4S/c25-20-15-9-8-12(19-22-17-6-1-2-7-18(17)29-19)10-16(15)21(26)23(20)13-4-3-5-14(11-13)24(27)28/h1-11HInChIKey
NWWHWAKGJSWKHL-UHFFFAOYSA-NSynonyms
5(13benzothiazol2yl)2(3nitrophenyl)1Hisoindole13(2H)dione
5(13BENZOTHIAZOL2YL)2(3NITROPHENYL)ISOINDOLE13DIONE
C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC21H11N3O4Sc2520159812(192217612718(17)2919)1016(15)21(26)23(20)1343514(1113)24(27)28h111H
MFCD03719404
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)c2c1cc(cc2)c1nc2c(s1)cccc2
ZINC000001122650
ZINC01122650
ZINC1122650
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