Vitas-M small molecule compound
3-methyl-N-[(4-nitrophenyl)carbamothioyl]butanamide
Catalog ID
STK148108
SMILES CC(CC(=O)NC(=S)Nc1ccc(cc1)[N+](=O)[O-])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 C12H15N3O3S MW 281.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O3S/c1-8(2)7-11(16)14-12(19)13-9-3-5-10(6-4-9)15(17)18/h3-6,8H,7H2,1-2H3,(H2,13,14,16,19)InChIKey
MOTHKGOUTIAOGM-UHFFFAOYSA-NSynonyms
3METHYLN((4NITROPHENYL)CARBAMOTHIOYL)BUTANAMIDE
CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)(N+)(=O)(O)
CC(CC(=O)NC(=S)Nc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC12H15N3O3Sc18(2)711(16)1412(19)1393510(649)15(17)18h368H7H212H3(H213141619)
MFCD02915305
ZINC000004091645
ZINC04091645
ZINC4091645
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