Vitas-M small molecule compound
2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
Catalog ID
STK676061
SMILES OC(=O)c1cccc(c1C(=O)Nc1nc2c(s1)cccc2C)[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 C16H11N3O5S MW 357.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5S/c1-8-4-2-7-11-13(8)17-16(25-11)18-14(20)12-9(15(21)22)5-3-6-10(12)19(23)24/h2-7H,1H3,(H,21,22)(H,17,18,20)InChIKey
YTJYQLAQTUUDFR-UHFFFAOYSA-NSynonyms
325810-62-62((4methyl13benzothiazol2yl)carbamoyl)3nitrobenzoicacid
2((4METHYLBENZO(D)THIAZOL2YL)CARBAMOYL)3NITROBENZOICACID
325810626
CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3(N+)(=O)(O))C(=O)O
InChI=1SC16H11N3O5Sc184271113(8)1716(2511)1814(20)129(15(21)22)53610(12)19(23)24h27H1H3(H2122)(H171820)
MFCD01870930
N(4METHYLBENZOTHIAZOL2YL)3NITROPHTHALAMICACID
OC(=O)c1cccc(c1C(=O)Nc1nc2c(s1)cccc2C)(N+)(=O)(O)
ZINC000003670675
ZINC3670675
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