Vitas-M small molecule compound
ethyl (2E)-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
Catalog ID
STL016519
SMILES CCOC(=O)/C=c\1/s/c(=C(\C(=O)N)/C#N)/n(c1=O)c1ccc(cc1)Br
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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 C16H12BrN3O4S MW 422.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O4S/c1-2-24-13(21)7-12-15(23)20(10-5-3-9(17)4-6-10)16(25-12)11(8-18)14(19)22/h3-7H,2H2,1H3,(H2,19,22)/b12-7+,16-11-InChIKey
GAQYAEXNLBRVLP-DPLCJLRXSA-NSynonyms
(E)ethyl2((E)2(2amino1cyano2oxoethylidene)3(4bromophenyl)4oxothiazolidin5ylidene)acetate
CCOC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)N)S1)C2=CC=C(C=C2)Br
CCOC(=O)C=c1sc(=C(C(=O)N)C#N)n(c1=O)c1ccc(cc1)Br
ethyl(2E)((2Z)2(2amino1cyano2oxoethylidene)3(4bromophenyl)4oxo13thiazolidin5ylidene)ethanoate
ETHYL(2E)2((2Z)2(2AMINO1CYANO2OXOETHYLIDENE)3(4BROMOPHENYL)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
ETHYL2(3(4BROMOPHENYL)2(CARBAMOYLCYANOMETHYLENE)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
InChI=1SC16H12BrN3O4Sc122413(21)71215(23)20(10539(17)4610)16(2512)11(818)14(19)22h37H2H21H3(H21922)b127+1611
MFCD06438451
ZINC000009909728
ZINC09909728
ZINC9909728
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