Vitas-M small molecule compound
3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(4-methyl-2-nitrophenyl)propanamide
Catalog ID
STK136483
SMILES O=C(Nc1ccc(cc1[N+](=O)[O-])C)CCN1C(=O)c2c(S1(=O)=O)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 C17H15N3O6S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O6S/c1-11-6-7-13(14(10-11)20(23)24)18-16(21)8-9-19-17(22)12-4-2-3-5-15(12)27(19,25)26/h2-7,10H,8-9H2,1H3,(H,18,21)InChIKey
AIYMUMPAQPGPBN-UHFFFAOYSA-NSynonyms
3(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)N(4METHYL2NITROPHENYL)PROPANAMIDE
CC1=CC(=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)(N+)(=O)(O)
InChI=1SC17H15N3O6Sc1116713(14(1011)20(23)24)1816(21)891917(22)12423515(12)27(1925)26h2710H89H21H3(H1821)
MFCD03998545
N(4METHYL2NITROPHENYL)3(113TRIOXO12BENZOTHIAZOL2YL)PROPANAMIDE
O=C(Nc1ccc(cc1(N+)(=O)(O))C)CCN1C(=O)c2c(S1(=O)=O)cccc2
ZINC000004681241
ZINC04681241
ZINC4681241
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