Vitas-M small molecule compound
2-[4-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK299774
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1sc2c(n1)cccc2)[N+](=O)[O-]
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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/c25-20-15-10-9-14(24(27)28)11-16(15)21(26)23(20)13-7-5-12(6-8-13)19-22-17-3-1-2-4-18(17)29-19/h1-11HInChIKey
AQQNACUDPXLJTP-UHFFFAOYSA-NSynonyms
2(4(13benzothiazol2yl)phenyl)5nitro1Hisoindole13(2H)dione
2(4(13BENZOTHIAZOL2YL)PHENYL)5NITROISOINDOLE13DIONE
2(4BENZOTHIAZOL2YLPHENYL)5NITROBENZO(C)AZOLINE13DIONE
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)(N+)(=O)(O)
InChI=1SC21H11N3O4Sc25201510914(24(27)28)1116(15)21(26)23(20)137512(6813)192217312418(17)2919h111H
MFCD01797694
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1sc2c(n1)cccc2)(N+)(=O)(O)
ZINC000004499629
ZINC04499629
ZINC4499629
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