Vitas-M small molecule compound
2-(2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK087573
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2
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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 C27H22N4O3S2 MW 514.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3S2/c32-24(30-14-12-29(13-15-30)18-6-2-1-3-7-18)17-35-27-28-22-11-10-19(16-23(22)36-27)31-25(33)20-8-4-5-9-21(20)26(31)34/h1-11,16H,12-15,17H2InChIKey
AIFKVCYXDIADIY-UHFFFAOYSA-NSynonyms
497077-90-42(2((2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL)13BENZOTHIAZOL6YL)1HISOINDOLE13(2H)DIONE
2(2((2oxo2(4phenylpiperazin1yl)ethyl)thio)benzo(d)thiazol6yl)isoindoline13dione
2(2(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL13BENZOTHIAZOL6YL)ISOINDOLE13DIONE
497077904
C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O
InChI=1SC27H22N4O3S2c3224(30141229(131530)186213718)1735272822111019(1623(22)3627)3125(33)20845921(20)26(31)34h11116H121517H2
MFCD03299347
O=C(N1CCN(CC1)c1ccccc1)CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2
STK087573
ZINC000002311757
ZINC02311757
ZINC2311757
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