Vitas-M small molecule compound
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Catalog ID
STK125794
SMILES CCC(C(=O)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])Sc1nnc2c(n1)n(C)c1c2cccc1
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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 C21H17N7O3S2 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N7O3S2/c1-3-15(19(29)24-20-22-13-9-8-11(28(30)31)10-16(13)33-20)32-21-23-18-17(25-26-21)12-6-4-5-7-14(12)27(18)2/h4-10,15H,3H2,1-2H3,(H,22,24,29)InChIKey
JLRFEZARFNWPLA-UHFFFAOYSA-NSynonyms
522651-63-42((5METHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
2((5METHYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
522651634
CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)(N+)(=O)(O))SC3=NC4=C(C5=CC=CC=C5N4C)N=N3
CCC(C(=O)Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))Sc1nnc2c(n1)n(C)c1c2cccc1
InChI=1SC21H17N7O3S2c1315(19(29)242022139811(28(30)31)1016(13)3320)3221231817(252621)12645714(12)27(18)2h41015H3H212H3(H222429)
MFCD03487928
ZINC000002746325
ZINC000002746326
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