Vitas-M small molecule compound
2-(4-methylphenyl)-5-(3-nitrophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Catalog ID
STK853601
SMILES Cc1ccc(cc1)c1nc2n(n1)C(=O)CC(S2)c1cccc(c1)[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 C18H14N4O3S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O3S/c1-11-5-7-12(8-6-11)17-19-18-21(20-17)16(23)10-15(26-18)13-3-2-4-14(9-13)22(24)25/h2-9,15H,10H2,1H3InChIKey
HBUMYZBRQSSBIF-UHFFFAOYSA-NSynonyms
433241-02-22(4METHYLPHENYL)5(3NITROPHENYL)56DIHYDRO(124)TRIAZOLO(51B)(13)THIAZIN7ONE
2(4methylphenyl)5(3nitrophenyl)56dihydro7H(124)triazolo(51b)(13)thiazin7one
2(4METHYLPHENYL)5(3NITROPHENYL)5H6H124TRIAZOLO(51B)13THIAZAPERHYDROIN7ONE
433241022
5(3nitrophenyl)2(ptolyl)5H(124)triazolo(51b)(13)thiazin7(6H)one
CC1=CC=C(C=C1)C2=NN3C(=O)CC(SC3=N2)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)c1nc2n(n1)C(=O)CC(S2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H14N4O3Sc1115712(8611)17191821(2017)16(23)1015(2618)1332414(913)22(24)25h2915H10H21H3
MFCD03145287
ZINC000001151808
ZINC000001151809
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