Vitas-M small molecule compound
(6Z)-1,3-dimethyl-6-[(2Z)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]-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
STK676072
SMILES [O-][N+](=O)c1ccc(o1)/C=C\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 C27H22N6O5S MW 542.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N6O5S/c1-30-25(35)31(2)27(19-12-7-4-8-13-19)26(30,18-10-5-3-6-11-18)28-24-32(29-27)23(34)21(39-24)15-9-14-20-16-17-22(38-20)33(36)37/h3-17,29H,1-2H3/b14-9-,21-15-InChIKey
AOODZAXTWUHYTR-AOFTXDIDSA-NSynonyms
(6Z)13dimethyl6((2Z)3(5nitrofuran2yl)prop2en1ylidene)3a9adiphenyl33a99atetrahydroimidazo(45e)(13)thiazolo(32b)(124)triazine27(1H6H)dione
(O)(N+)(=O)c1ccc(o1)C=CC=c1sc2=NC3(C(Nn2c1=O)(c1ccccc1)N(C(=O)N3C)C)c1ccccc1
CN1C(=O)N(C2(C1(NN3C(=O)C(=CC=CC4=CC=C(O4)(N+)(=O)(O))SC3=N2)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI=1SC27H22N6O5Sc13025(35)31(2)27(19127481319)26(3018105361118)282432(2927)23(34)21(3924)1591420161722(3820)33(36)37h31729H12H3b1492115
MFCD01871068
ZINC000100085836
ZINC000100085848
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