Vitas-M small molecule compound

methyl (2E)-[(2Z)-2-{1-cyano-2-[(furan-2-ylmethyl)amino]-2-oxoethylidene}-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate

Catalog ID
STL016518
SMILES N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)NCc1ccco1

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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-13-5-7-14(8-6-13)24-20(27)17(10-18(25)28-2)30-21(24)16(11-22)19(26)23-12-15-4-3-9-29-15/h3-10H,12H2,1-2H3,(H,23,26)/b17-10+,21-16-
InChIKey
OVWWMYXCLRNJCT-GBPVSUMVSA-N
Synonyms

(E)methyl2((E)2(1cyano2((furan2ylmethyl)amino)2oxoethylidene)4oxo3(ptolyl)thiazolidin5ylidene)acetate
CC1=CC=C(C=C1)N2C(=O)C(=CC(=O)OC)SC2=C(C#N)C(=O)NCC3=CC=CO3
InChI=1SC21H17N3O5Sc1135714(8613)2420(27)17(1018(25)282)3021(24)16(1122)19(26)2312154392915h310H12H212H3(H2326)b1710+2116
methyl(2E)((2Z)2(1cyano2((furan2ylmethyl)amino)2oxoethylidene)3(4methylphenyl)4oxo13thiazolidin5ylidene)ethanoate
METHYL(2E)2((2Z)2(1CYANO2(FURAN2YLMETHYLAMINO)2OXOETHYLIDENE)3(4METHYLPHENYL)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
METHYL2(2(CYANO(N(2FURYLMETHYL)CARBAMOYL)METHYLENE)3(4METHYLPHENYL)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
MFCD06438444
N#CC(=c1sc(=CC(=O)OC)c(=O)n1c1ccc(cc1)C)C(=O)NCc1ccco1
ZINC000100989012
ZINC100989012

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.