Vitas-M small molecule compound

2-(2-{[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK553514
SMILES Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCCN1C(=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 C28H23N5O3S2 MW 541.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O3S2/c1-16-10-12-17(13-11-16)32-25(36)22-20-8-4-5-9-21(20)38-26(22)33-27(32)29-30-28(33)37-15-14-31-23(34)18-6-2-3-7-19(18)24(31)35/h2-3,6-7,10-13H,4-5,8-9,14-15H2,1H3
InChIKey
RLRJUYGMLQMBFB-UHFFFAOYSA-N
Synonyms
799800-51-4
2(2((4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)ethyl)1Hisoindole13(2H)dione
2(2((5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)ethyl)isoindoline13dione
799800514
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCCN5C(=O)C6=CC=CC=C6C5=O)SC7=C3CCCC7
InChI=1SC28H23N5O3S2c116101217(131116)3225(36)2220845921(20)3826(22)3327(32)293028(33)3715143123(34)18623719(18)24(31)35h23671013H45891415H21H3
MFCD03678280
ZINC000002223172
ZINC2223172

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Available files

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