Vitas-M small molecule compound
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-3-nitrobenzamide
Catalog ID
STK080474
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c3c1cccc3CC2
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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 C22H19N3O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S/c1-2-29-19-11-9-15(12-18(19)25(27)28)21(26)24-22(30)23-17-10-8-14-7-6-13-4-3-5-16(17)20(13)14/h3-5,8-12H,2,6-7H2,1H3,(H2,23,24,26,30)InChIKey
BWHWUHJVBJIIOB-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c3c1cccc3CC2
InChI=1SC22H19N3O4Sc12291911915(1218(19)25(27)28)21(26)2422(30)231710814761343516(17)20(13)14h35812H267H21H3(H223242630)
MFCD02603068
N((ACENAPHTHEN5YLAMINO)THIOXOMETHYL)(4ETHOXY3NITROPHENYL)CARBOXAMIDE
N(12DIHYDROACENAPHTHYLEN5YLCARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
STK080474
ZINC000001171475
ZINC01171475
ZINC1171475
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