Vitas-M small molecule compound
10-(1,3-benzodioxol-5-ylmethyl)-8-(thiophen-2-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL348285
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)Cc1ccc2c(c1)OCO2)c1cccs1
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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 C27H20N2O5S MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O5S/c30-25(20-6-3-11-35-20)24-22-21(23-17-5-2-1-4-16(17)9-10-28(23)24)26(31)29(27(22)32)13-15-7-8-18-19(12-15)34-14-33-18/h1-12,21-24H,13-14H2InChIKey
RZXFEJQTFGXPQQ-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(benzo(d)(13)dioxol5ylmethyl)8(thiophene2carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
10(13benzodioxol5ylmethyl)8(thiophen2ylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)C7=CC=CS7
InChI=1SC27H20N2O5Sc3025(2063113520)242221(2317521416(17)91028(23)24)26(31)29(27(22)32)1315781819(1215)34143318h1122124H1314H2
MFCD28032564
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)Cc1ccc2c(c1)OCO2)c1cccs1
ZINC000008666578
ZINC000245240437
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