Vitas-M small molecule compound
(12bS)-2-(3-hydroxypropyl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL532401
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCO
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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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-4-14-36-22-11-10-18(15-23(22)35-3)20-16-31-24(33)17-30(12-7-13-32)27(34)28(31,2)26-25(20)19-8-5-6-9-21(19)29-26/h5-6,8-11,15,20,29,32H,4,7,12-14,16-17H2,1-3H3/t20?,28-/m0/s1InChIKey
CUXDBYHCWYZZKM-GPIXMLASSA-NSynonyms
956991-25-6(12bS)2(3hydroxypropyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(3hydroxypropyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(3hydroxypropyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403568
956991256
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCO
InChI=1SC28H33N3O5c14143622111018(1523(22)353)20163124(33)1730(1271332)27(34)28(312)2625(20)19856921(19)2926h5681115202932H4712141617H213H3t20?28m0s1
MFCD06496071
ZINC000012880742
ZINC000012880750
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