Vitas-M small molecule compound

N-[3-carbamoyl-5-(propan-2-yl)thiophen-2-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

Catalog ID
STK302000
SMILES Cc1ccc(c(c1)[N+](=O)[O-])OCc1ccc(o1)C(=O)Nc1sc(cc1C(=O)N)C(C)C

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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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c1-11(2)18-9-14(19(22)25)21(31-18)23-20(26)17-7-5-13(30-17)10-29-16-6-4-12(3)8-15(16)24(27)28/h4-9,11H,10H2,1-3H3,(H2,22,25)(H,23,26)
InChIKey
OXEJRDFRQGOLCI-UHFFFAOYSA-N
Synonyms
438228-47-8
438228478
CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)N)(N+)(=O)(O)
Cc1ccc(c(c1)(N+)(=O)(O))OCc1ccc(o1)C(=O)Nc1sc(cc1C(=O)N)C(C)C
InChI=1SC21H21N3O6Sc111(2)18914(19(22)25)21(3118)2320(26)177513(3017)1029166412(3)815(16)24(27)28h4911H10H213H3(H22225)(H2326)
MFCD03466695
N(3(AMINOCARBONYL)5ISOPROPYL2THIENYL)5((2NITRO4METHYLPHENOXY)METHYL)2FURAMIDE
N(3carbamoyl5(propan2yl)thiophen2yl)5((4methyl2nitrophenoxy)methyl)furan2carboxamide
N(3CARBAMOYL5PROPAN2YLTHIOPHEN2YL)5((4METHYL2NITROPHENOXY)METHYL)FURAN2CARBOXAMIDE
ZINC000002755185
ZINC02755185
ZINC2755185

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.