Vitas-M small molecule compound
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK427048
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)NC(=O)c1ccc(cc1)[N+](=O)[O-])CC
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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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-6-23(7-2)20(26)17-13(5)16(21(27)30-12(3)4)19(31-17)22-18(25)14-8-10-15(11-9-14)24(28)29/h8-12H,6-7H2,1-5H3,(H,22,25)InChIKey
HBGOXCHKYPRFLF-UHFFFAOYSA-NSynonyms
CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)NC(=O)c1ccc(cc1)(N+)(=O)(O))CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC(C)C)C
InChI=1SC21H25N3O6Sc1623(72)20(26)1713(5)16(21(27)3012(3)4)19(3117)2218(25)1481015(11914)24(28)29h812H67H215H3(H2225)
METHYLETHYL5(NNDIETHYLCARBAMOYL)4METHYL2((4NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD01355826
propan2yl5(diethylcarbamoyl)4methyl2(((4nitrophenyl)carbonyl)amino)thiophene3carboxylate
PROPAN2YL5(DIETHYLCARBAMOYL)4METHYL2((4NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ZINC000001217636
ZINC01217636
ZINC1217636
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