Vitas-M small molecule compound

2-(3-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK807747
SMILES COc1ccc(cc1)n1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1c1sc2c(c1Cl)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 C32H23ClN4O3S2 MW 611.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23ClN4O3S2/c1-40-21-15-13-20(14-16-21)37-29(28-27(33)22-9-2-3-12-25(22)42-28)34-35-32(37)41-18-6-17-36-30(38)23-10-4-7-19-8-5-11-24(26(19)23)31(36)39/h2-5,7-16H,6,17-18H2,1H3
InChIKey
NYLHXDDUIXCQCO-UHFFFAOYSA-N
Synonyms
690249-71-9
2(3((5(3CHLORO1BENZOTHIOPHEN2YL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
2(3((5(3chloro1benzothiophen2yl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((5(3CHLOROBENZO(B)THIOPHEN2YL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
690249719
COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=C(C7=CC=CC=C7S6)Cl
InChI=1SC32H23ClN4O3S2c14021151320(141621)3729(2827(33)229231225(22)4228)343532(37)41186173630(38)23104719851124(26(19)23)31(36)39h25716H61718H21H3
MFCD05865815
ZINC000097987842
ZINC97987842

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Available files

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