Vitas-M small molecule compound

(2Z,5Z)-3-ethyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one

Catalog ID
STK383526
SMILES C=CCN1C(=S)S/C(=c/2\s/c(=c/3\sc4c(n3CC)cc(cc4)OC)/c(=O)n2CC)/C1=O

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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 C21H21N3O3S4 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S4/c1-5-10-24-18(26)16(31-21(24)28)20-23(7-3)17(25)15(30-20)19-22(6-2)13-11-12(27-4)8-9-14(13)29-19/h5,8-9,11H,1,6-7,10H2,2-4H3/b19-15-,20-16-
InChIKey
APGZZQJLVGMVLS-IKBKFCNISA-N
Synonyms

(2Z5Z)3ethyl5(3ethyl5methoxy13benzothiazol2(3H)ylidene)2(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)13thiazolidin4one
(2Z5Z)3ETHYL5(3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)2(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)13THIAZOLIDIN4ONE
3ETHYL5(3ETHYL5METHOXY(3HYDROBENZOTHIAZOL2YLIDENE))2(4OXO3PROP2ENYL2THIOXO(13THIAZOLIDIN5YLIDENE))13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=c2sc(=c3sc4c(n3CC)cc(cc4)OC)c(=O)n2CC)C1=O
CCN1C2=C(C=CC(=C2)OC)SC1=C3C(=O)N(C(=C4C(=O)N(C(=S)S4)CC=C)S3)CC
InChI=1SC21H21N3O3S4c15102418(26)16(3121(24)28)2023(73)17(25)15(3020)1922(62)131112(274)8914(13)2919h58911H16710H224H3b19152016
MFCD00655201
ZINC000100482743
ZINC100482743

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Available files

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