Vitas-M small molecule compound

(6Z)-1,3-dimethyl-6-(4-nitrobenzylidene)-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione

Catalog ID
STK744400
SMILES [O-][N+](=O)c1ccc(cc1)/C=c/1\sc2=NC3(C(Nn2c1=O)(c1ccccc1)N(C(=O)N3C)C)c1ccccc1

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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 C27H22N6O4S MW 526.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N6O4S/c1-30-25(35)31(2)27(20-11-7-4-8-12-20)26(30,19-9-5-3-6-10-19)28-24-32(29-27)23(34)22(38-24)17-18-13-15-21(16-14-18)33(36)37/h3-17,29H,1-2H3/b22-17-
InChIKey
YUWYXVNKMWKBNT-XLNRJJMWSA-N
Synonyms

(6Z)13dimethyl6(4nitrobenzylidene)3a9adiphenyl33a99atetrahydroimidazo(45e)(13)thiazolo(32b)(124)triazine27(1H6H)dione
(E)13dimethyl6(4nitrobenzylidene)3a9adiphenyl33a99atetrahydroimidazo(45e)thiazolo(32b)(124)triazine27(1H6H)dione
(O)(N+)(=O)c1ccc(cc1)C=c1sc2=NC3(C(Nn2c1=O)(c1ccccc1)N(C(=O)N3C)C)c1ccccc1
CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI=1SC27H22N6O4Sc13025(35)31(2)27(20117481220)26(301995361019)282432(2927)23(34)22(3824)1718131521(161418)33(36)37h31729H12H3b2217
MFCD13371948
ZINC000001060137
ZINC000033355401

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Available files

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