Vitas-M small molecule compound
(2Z,5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one
Catalog ID
STK155402
SMILES CCOc1ccc(cc1)/N=C\1/NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/S1
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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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-4-32-21-10-8-18(9-11-21)25-24-26-23(29)22(33-24)13-17-12-15(2)27(16(17)3)19-6-5-7-20(14-19)28(30)31/h5-14H,4H2,1-3H3,(H,25,26,29)/b22-13+InChIKey
TVTBGFFDPJTDIG-LPYMAVHISA-NSynonyms
(2Z5E)5((25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)2((4ETHOXYPHENYL)IMINO)13THIAZOLIDIN4ONE
(5E)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)2(4ETHOXYANILINO)13THIAZOL4ONE
CCOC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=CC=C4)(N+)(=O)(O))C)S2
CCOc1ccc(cc1)N=C1NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)S1
InChI=1SC24H22N4O4Sc14322110818(91121)25242623(29)22(3324)13171215(2)27(16(17)3)1965720(1419)28(30)31h514H4H213H3(H252629)b2213+
MFCD04308410
ZINC000009261433
ZINC09261433
ZINC9261433
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