Vitas-M small molecule compound
1-benzyl-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Catalog ID
STK955798
SMILES S=C(Nc1c(C)cc(cc1[N+](=O)[O-])C)NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-16-12-17(2)25(24(13-16)31(33)34)28-27(35)29-26(32)21-10-11-23-22(14-21)18(3)19(4)30(23)15-20-8-6-5-7-9-20/h5-14H,15H2,1-4H3,(H2,28,29,32,35)InChIKey
LGRZFEHKBCOCNX-UHFFFAOYSA-NSynonyms
438613-21-91benzylN((24dimethyl6nitrophenyl)carbamothioyl)23dimethyl1Hindole5carboxamide
1BENZYLN((24DIMETHYL6NITROPHENYL)CARBAMOTHIOYL)23DIMETHYLINDOLE5CARBOXAMIDE
438613219
CC1=CC(=C(C(=C1)(N+)(=O)(O))NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4)C
InChI=1SC27H26N4O3Sc1161217(2)25(24(1316)31(33)34)2827(35)2926(32)2110112322(1421)18(3)19(4)30(23)15208657920h514H15H214H3(H228293235)
MFCD02604672
S=C(Nc1c(C)cc(cc1(N+)(=O)(O))C)NC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C
ZINC000013881891
ZINC13881891
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