Vitas-M small molecule compound
2-[(4-methoxybenzyl)amino]-N-(2-methyl-4-nitrophenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
Catalog ID
STK870916
SMILES COc1ccc(cc1)CNC1=NC(=O)CC(S1)C(=O)Nc1ccc(cc1C)[N+](=O)[O-]
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-12-9-14(24(27)28)5-8-16(12)22-19(26)17-10-18(25)23-20(30-17)21-11-13-3-6-15(29-2)7-4-13/h3-9,17H,10-11H2,1-2H3,(H,22,26)(H,21,23,25)InChIKey
HPMSEWWBWDKPEY-UHFFFAOYSA-NSynonyms
676155-78-52((4methoxybenzyl)amino)N(2methyl4nitrophenyl)4oxo56dihydro4H13thiazine6carboxamide
2((4METHOXYPHENYL)METHYLAMINO)N(2METHYL4NITROPHENYL)4OXO56DIHYDRO13THIAZINE6CARBOXAMIDE
676155785
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C2CC(=O)N=C(S2)NCC3=CC=C(C=C3)OC
COc1ccc(cc1)CNC1=NC(=O)CC(S1)C(=O)Nc1ccc(cc1C)(N+)(=O)(O)
InChI=1SC20H20N4O5Sc112914(24(27)28)5816(12)2219(26)171018(25)2320(3017)2111133615(292)7413h3917H1011H212H3(H2226)(H212325)
MFCD03941406
ZINC000008682410
ZINC000009353607
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