Vitas-M small molecule compound
ethyl 2-methoxy-6a-methyl-8-{[(2E)-3-phenylprop-2-enoyl]amino}-5,6,6a,10,10a,10b,11,12-octahydro-4bH-naphtho[2',1':4,5]indeno[2,1-b]thiophene-7-carboxylate
Catalog ID
STL539235
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1C1(C)CCC3C(C1C2)CCc1c3ccc(c1)OC
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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 C33H35NO4S MW 541.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO4S/c1-4-38-32(36)29-30-27(39-31(29)34-28(35)15-10-20-8-6-5-7-9-20)19-26-25-13-11-21-18-22(37-3)12-14-23(21)24(25)16-17-33(26,30)2/h5-10,12,14-15,18,24-26H,4,11,13,16-17,19H2,1-3H3,(H,34,35)/b15-10+InChIKey
VIKJOKCIPIWXFM-XNTDXEJSSA-NSynonyms
1574537-35-11574537351
75464695
CCOC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1C1(C)CCC3C(C1C2)CCc1c3ccc(c1)OC
ethyl10cinnamamido4methoxy8amethyl26b788a1212a12boctahydro1Hnaphtho(2145)indeno(21b)thiophene9carboxylate
ethyl16methoxy9methyl6(((~(E))3phenylprop2enoyl)amino)5thiapentacyclo(10800^(29)0^(48)0^(1318))icosa4(8)613(18)1416pentaene7carboxylate
ethyl2methoxy6amethyl8(((2E)3phenylprop2enoyl)amino)566a1010a10b1112octahydro4bHnaphtho(2145)indeno(21b)thiophene7carboxylate
InChI=1SC33H35NO4Sc143832(36)293027(3931(29)3428(35)1510208657920)1926251311211822(373)121423(21)24(25)161733(2630)2h510121415182426H41113161719H213H3(H3435)b1510+
MFCD28051568
ZINC000108238566
ZINC000252512761
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.