Vitas-M small molecule compound
(2E,5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-[5-oxo-1-phenyl-3-(phenylamino)-1,5-dihydro-4H-pyrazol-4-ylidene]-1,3-thiazolidin-4-one
Catalog ID
STK792967
SMILES COc1ccc2c(c1)n(C)/c(=c\1/s/c(=C/3\C(=NN(C3=O)c3ccccc3)Nc3ccccc3)/n(c1=O)CC)/s2
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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 C29H25N5O3S2 MW 555.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O3S2/c1-4-33-27(36)24(29-32(2)21-17-20(37-3)15-16-22(21)38-29)39-28(33)23-25(30-18-11-7-5-8-12-18)31-34(26(23)35)19-13-9-6-10-14-19/h5-17H,4H2,1-3H3,(H,30,31)/b28-23+,29-24-InChIKey
QQRRRKURJQHHJY-ABHBNJMISA-NSynonyms
(2E5Z)2(3ANILINO5OXO1PHENYLPYRAZOL4YLIDENE)3ETHYL5(5METHOXY3METHYL13BENZOTHIAZOL2YLIDENE)13THIAZOLIDIN4ONE
(2E5Z)3ethyl5(5methoxy3methyl13benzothiazol2(3H)ylidene)2(5oxo1phenyl3(phenylamino)15dihydro4Hpyrazol4ylidene)13thiazolidin4one
(2E5Z)3ethyl5(5methoxy3methylbenzo(d)thiazol2(3H)ylidene)2(5oxo1phenyl3(phenylamino)1Hpyrazol4(5H)ylidene)thiazolidin4one
3ETHYL5(5METHOXY3METHYL23DIHYDRO13BENZOTHIAZOL2YLIDENE)2(5OXO1PHENYL3(PHENYLAMINO)45DIHYDRO1HPYRAZOL4YLIDENE)13THIAZOLIDIN4ONE
CCN1C(=C2C(=NN(C2=O)C3=CC=CC=C3)NC4=CC=CC=C4)SC(=C5N(C6=C(S5)C=CC(=C6)OC)C)C1=O
COc1ccc2c(c1)n(C)c(=c1sc(=C3C(=NN(C3=O)c3ccccc3)Nc3ccccc3)n(c1=O)CC)s2
InChI=1SC29H25N5O3S2c143327(36)24(2932(2)211720(373)151622(21)3829)3928(33)2325(3018117581218)3134(26(23)35)191396101419h517H4H213H3(H3031)b2823+2924
MFCD00633185
ZINC000033358267
ZINC33358267
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