Vitas-M small molecule compound
(12aS)-2-[(5Z)-5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL541102
SMILES COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)N1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
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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 C26H22N4O5S2 MW 534.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5S2/c1-34-15-8-7-14(21(10-15)35-2)9-22-25(33)30(26(36)37-22)29-13-23(31)28-12-19-17(11-20(28)24(29)32)16-5-3-4-6-18(16)27-19/h3-10,20,27H,11-13H2,1-2H3/b22-9-/t20-/m0/s1InChIKey
VTXUCYOVDGHROO-KEFGJJIISA-NSynonyms
956920-66-4(12aS)2((5Z)5(24dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((5~(Z))5((24dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(SZ)2(5(24dimethoxybenzylidene)4oxo2thioxothiazolidin3yl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
16400437
956920664
COc1cc(OC)ccc1C=C1SC(=S)N(C1=O)N1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC26H22N4O5S2c134158714(21(1015)352)92225(33)30(26(36)3722)291323(31)28121917(1120(28)24(29)32)16534618(16)2719h3102027H1113H212H3b229t20m0s1
MFCD05671408
ZINC000070687440
ZINC70687440
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