Vitas-M small molecule compound

(5Z)-3-benzyl-5-(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK044530
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl

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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 C30H30ClNO4S2 MW 568.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClNO4S2/c1-19(2)23-11-10-20(3)14-25(23)35-12-13-36-28-24(31)15-22(16-26(28)34-4)17-27-29(33)32(30(37)38-27)18-21-8-6-5-7-9-21/h5-11,14-17,19H,12-13,18H2,1-4H3/b27-17-
InChIKey
XVFOTCGYKVXBIU-PKAZHMFMSA-N
Synonyms

(5Z)3BENZYL5((3CHLORO5METHOXY4(2(5METHYL2PROPAN2YLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(3CHLORO5METHOXY4(2(5METHYL2(PROPAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC
COc1cc(C=C2SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl
InChI=1SC30H30ClNO4S2c119(2)23111020(3)1425(23)351213362824(31)1522(1626(28)344)172729(33)32(30(37)3827)18218657921h511141719H121318H214H3b2717
MFCD02109320
STK044530
ZINC000100268815
ZINC100268815

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Available files

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