Vitas-M small molecule compound

(5E)-5-{[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]methylidene}-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

Catalog ID
STL023871
SMILES O=C(N1CCN(CC1)c1ccccc1)CN1C(=O)S/C(=C/c2cc(n(c2C)C(C)C)C)/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 C25H30N4O3S MW 466.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3S/c1-17(2)29-18(3)14-20(19(29)4)15-22-24(31)28(25(32)33-22)16-23(30)27-12-10-26(11-13-27)21-8-6-5-7-9-21/h5-9,14-15,17H,10-13,16H2,1-4H3/b22-15+
InChIKey
HQMMOYYRDMZGDW-PXLXIMEGSA-N
Synonyms
587002-40-2
(5E)5((25dimethyl1(propan2yl)1Hpyrrol3yl)methylidene)3(2oxo2(4phenylpiperazin1yl)ethyl)13thiazolidine24dione
(5E)5((25DIMETHYL1PROPAN2YLPYRROL3YL)METHYLIDENE)3(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)13THIAZOLIDINE24DIONE
(E)5((1isopropyl25dimethyl1Hpyrrol3yl)methylene)3(2oxo2(4phenylpiperazin1yl)ethyl)thiazolidine24dione
5((1ISOPROPYL25DIMETHYL1HPYRROL3YL)METHYLENE)3(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)13THIAZOLIDINE24DIONE
587002402
CC1=CC(=C(N1C(C)C)C)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H30N4O3Sc117(2)2918(3)1420(19(29)4)152224(31)28(25(32)3322)1623(30)27121026(111327)218657921h59141517H101316H214H3b2215+
MFCD03696983
O=C(N1CCN(CC1)c1ccccc1)CN1C(=O)SC(=Cc2cc(n(c2C)C(C)C)C)C1=O
ZINC000000981341
ZINC00981341
ZINC981341

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Available files

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