Vitas-M small molecule compound

4-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-tert-butylbenzoate

Catalog ID
STK701625
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C/1\SC(=S)N(C1=O)C1CCCCC1

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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 C28H31NO4S2 MW 509.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4S2/c1-28(2,3)20-13-11-19(12-14-20)26(31)33-22-15-10-18(16-23(22)32-4)17-24-25(30)29(27(34)35-24)21-8-6-5-7-9-21/h10-17,21H,5-9H2,1-4H3/b24-17-
InChIKey
CVORSMFVPXLAND-ULJHMMPZSA-N
Synonyms

(4((Z)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)4TERTBUTYLBENZOATE
(E)4((3cyclohexyl4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl4(tertbutyl)benzoate
4((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4CCCCC4)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C=C1SC(=S)N(C1=O)C1CCCCC1
InChI=1SC28H31NO4S2c128(23)20131119(121420)26(31)3322151018(1623(22)324)172425(30)29(27(34)3524)218657921h101721H59H214H3b2417
MFCD03461559
ZINC000026686992
ZINC26686992

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Available files

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