Vitas-M small molecule compound
1-[4-(benzyloxy)-3-methoxyphenyl]-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Catalog ID
STL042098
SMILES COc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)CC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl
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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 C29H22ClN3O5S MW 560.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O5S/c1-3-23-31-32-29(39-23)33-25(24-26(34)19-14-18(30)10-12-20(19)38-27(24)28(33)35)17-9-11-21(22(13-17)36-2)37-15-16-7-5-4-6-8-16/h4-14,25H,3,15H2,1-2H3InChIKey
LCEZTIZAVOKYMN-UHFFFAOYSA-NSynonyms
1(4(benzyloxy)3methoxyphenyl)7chloro2(5ethyl134thiadiazol2yl)12dihydrochromeno(23c)pyrrole39dione
7CHLORO2(5ETHYL134THIADIAZOL2YL)1(3METHOXY4PHENYLMETHOXYPHENYL)1HCHROMENO(23C)PYRROLE39DIONE
CCC1=NN=C(S1)N2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)Cl)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC
InChI=1SC29H22ClN3O5Sc1323313229(3923)3325(2426(34)191418(30)101220(19)3827(24)28(33)35)1791121(22(1317)362)3715167546816h41425H315H212H3
MFCD04172240
ZINC000002595963
ZINC000002595964
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