Vitas-M small molecule compound

2-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

Catalog ID
STK516586
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

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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 C28H21N3O4S2 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O4S2/c1-16-8-13-21-20(14-16)24(32)22-23(18-9-11-19(34-2)12-10-18)31(26(33)25(22)35-21)27-29-30-28(37-27)36-15-17-6-4-3-5-7-17/h3-14,23H,15H2,1-2H3
InChIKey
AGSLZCUDTWJIJK-UHFFFAOYSA-N
Synonyms

2(5(benzylsulfanyl)134thiadiazol2yl)1(4methoxyphenyl)7methyl12dihydrochromeno(23c)pyrrole39dione
2(5benzylsulfanyl134thiadiazol2yl)1(4methoxyphenyl)7methyl1Hchromeno(23c)pyrrole39dione
CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI=1SC28H21N3O4S2c1168132120(1416)24(32)2223(1891119(342)121018)31(26(33)25(22)3521)27293028(3727)3615176435717h31423H15H212H3
MFCD06645740
ZINC000098046931
ZINC000098046932

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Available files

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