Vitas-M small molecule compound

methyl 4-(diethylamino)-8-nitro-2-(trifluoromethyl)-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2-carboxylate

Catalog ID
STK776357
SMILES CCN(C1=NC(N=c2n1c1ccc(cc1s2)[N+](=O)[O-])(C(=O)OC)C(F)(F)F)CC

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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 C16H16F3N5O4S MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N5O4S/c1-4-22(5-2)13-20-15(12(25)28-3,16(17,18)19)21-14-23(13)10-7-6-9(24(26)27)8-11(10)29-14/h6-8H,4-5H2,1-3H3
InChIKey
BTSRRGSWKWPTFT-UHFFFAOYSA-N
Synonyms

CCN(C1=NC(N=c2n1c1ccc(cc1s2)(N+)(=O)(O))(C(=O)OC)C(F)(F)F)CC
CCN(CC)C1=NC(N=C2N1C3=C(S2)C=C(C=C3)(N+)(=O)(O))(C(=O)OC)C(F)(F)F
InChI=1SC16H16F3N5O4Sc1422(52)132015(12(25)28316(1718)19)211423(13)10769(24(26)27)811(10)2914h68H45H213H3
METHYL4(DIETHYLAMINO)8NITRO2(TRIFLUOROMETHYL)(135)TRIAZINO(21B)(13)BENZOTHIAZOLE2CARBOXYLATE
methyl4(diethylamino)8nitro2(trifluoromethyl)2H(135)triazino(21b)(13)benzothiazole2carboxylate
MFCD05258914
ZINC000012411599
ZINC000012411601

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Available files

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