Vitas-M small molecule compound
2-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK264369
SMILES O=C1C2C3C=CC(C2C(=O)N1/N=C/c1ccc(s1)[N+](=O)[O-])C1C3C1
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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 C16H13N3O4S MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S/c20-15-13-8-2-3-9(11-5-10(8)11)14(13)16(21)18(15)17-6-7-1-4-12(24-7)19(22)23/h1-4,6,8-11,13-14H,5H2/b17-6+InChIKey
KCZFLFYOLLDLKV-UBKPWBPPSA-NSynonyms
2(((E)(5nitrothiophen2yl)methylidene)amino)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(S5)(N+)(=O)(O)
InChI=1SC16H13N3O4Sc2015138239(11510(8)11)14(13)16(21)18(15)17671412(247)19(22)23h1468111314H5H2b176+
MFCD02294224
O=C1C2C3C=CC(C2C(=O)N1N=Cc1ccc(s1)(N+)(=O)(O))C1C3C1
ZINC000104315197
ZINC000245310712
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