Vitas-M small molecule compound
ethyl 2-methoxy-6a-methyl-8-[(3-methylbutanoyl)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
STL539929
SMILES CCOC(=O)c1c(NC(=O)CC(C)C)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 C29H37NO4S MW 495.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO4S/c1-6-34-28(32)25-26-23(35-27(25)30-24(31)13-16(2)3)15-22-21-9-7-17-14-18(33-5)8-10-19(17)20(21)11-12-29(22,26)4/h8,10,14,16,20-22H,6-7,9,11-13,15H2,1-5H3,(H,30,31)InChIKey
JCFVUQKPWFHZHI-UHFFFAOYSA-NSynonyms
1574398-34-71574398347
71826097
ethyl16methoxy9methyl6(3methylbutanoylamino)5thiapentacyclo(10800^(29)0^(48)0^(1318))icosa4(8)613(18)1416pentaene7carboxylate
ethyl2methoxy6amethyl8((3methylbutanoyl)amino)566a1010a10b1112octahydro4bHnaphtho(2145)indeno(21b)thiophene7carboxylate
ethyl4methoxy8amethyl10(3methylbutanamido)26b788a1212a12boctahydro1Hnaphtho(2145)indeno(21b)thiophene9carboxylate
InChI=1SC29H37NO4Sc163428(32)252623(3527(25)3024(31)1316(2)3)15222197171418(335)81019(17)20(21)111229(2226)4h81014162022H679111315H215H3(H3031)
MFCD28051629
ZINC000108238717
ZINC000248225691
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