Vitas-M small molecule compound
(2E)-3-[3-methoxy-4-(morpholin-4-ylsulfonyl)phenyl]-1-(2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-benzimidazol-1-yl)prop-2-en-1-one
Catalog ID
STK808251
SMILES COc1cc(/C=C/C(=O)n2c(SC/C=C/c3ccccc3)nc3c2cccc3)ccc1S(=O)(=O)N1CCOCC1
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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 C30H29N3O5S2 MW 575.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5S2/c1-37-27-22-24(13-15-28(27)40(35,36)32-17-19-38-20-18-32)14-16-29(34)33-26-12-6-5-11-25(26)31-30(33)39-21-7-10-23-8-3-2-4-9-23/h2-16,22H,17-21H2,1H3/b10-7+,16-14+InChIKey
HCOPCVZCIDFBOC-CCCTXMFDSA-NSynonyms
(2E)3(3methoxy4(morpholin4ylsulfonyl)phenyl)1(2(((2E)3phenylprop2en1yl)sulfanyl)1Hbenzimidazol1yl)prop2en1one
(E)3(3METHOXY4MORPHOLIN4YLSULFONYLPHENYL)1(2((E)3PHENYLPROP2ENYL)SULFANYLBENZIMIDAZOL1YL)PROP2EN1ONE
COC1=C(C=CC(=C1)C=CC(=O)N2C3=CC=CC=C3N=C2SCC=CC4=CC=CC=C4)S(=O)(=O)N5CCOCC5
COc1cc(C=CC(=O)n2c(SCC=Cc3ccccc3)nc3c2cccc3)ccc1S(=O)(=O)N1CCOCC1
InChI=1SC30H29N3O5S2c137272224(131528(27)40(3536)32171938201832)141629(34)332612651125(26)3130(33)3921710238324923h21622H1721H21H3b107+1614+
MFCD05865765
ZINC000097965054
ZINC97965054
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