Vitas-M small molecule compound
N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK607638
SMILES O=C(c1ccc(cc1)Cn1ccc(n1)[N+](=O)[O-])/N=c\1/sc2c([nH]1)ccc(c2)[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 C18H12N6O5S MW 424.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N6O5S/c25-17(20-18-19-14-6-5-13(23(26)27)9-15(14)30-18)12-3-1-11(2-4-12)10-22-8-7-16(21-22)24(28)29/h1-9H,10H2,(H,19,20,25)InChIKey
HCHWILCJGURFCY-UHFFFAOYSA-NSynonyms
489409-00-9489409009
C1=CC(=CC=C1CN2C=CC(=N2)(N+)(=O)(O))C(=O)NC3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O)
InChI=1SC18H12N6O5Sc2517(201819146513(23(26)27)915(14)3018)123111(2412)10228716(2122)24(28)29h19H10H2(H192025)
MFCD09792158
N((2E)6nitro13benzothiazol2(3H)ylidene)4((3nitro1Hpyrazol1yl)methyl)benzamide
N(6NITRO13BENZOTHIAZOL2YL)4((3NITRO1HPYRAZOL1YL)METHYL)BENZAMIDE
N(6NITRO13BENZOTHIAZOL2YL)4((3NITROPYRAZOL1YL)METHYL)BENZAMIDE
O=C(c1ccc(cc1)Cn1ccc(n1)(N+)(=O)(O))N=c1sc2c((nH)1)ccc(c2)(N+)(=O)(O)
ZINC000013570155
ZINC13570155
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