Vitas-M small molecule compound
2-[2,6,8-trioxo-10-(thiophen-2-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
Catalog ID
STK611986
SMILES O=c1sc2c([nH]1)SC1C(C2c2cccs2)C2CC1C1C2C(=O)N(C1=O)C(C(=O)O)C
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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 C20H18N2O5S3 MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S3/c1-6(19(25)26)22-17(23)11-7-5-8(12(11)18(22)24)14-10(7)13(9-3-2-4-28-9)15-16(29-14)21-20(27)30-15/h2-4,6-8,10-14H,5H2,1H3,(H,21,27)(H,25,26)InChIKey
ULMQOLXBKPUMKD-UHFFFAOYSA-NSynonyms
1025013-52-81025013528
2((4aR5R5aR8aR9S)268trioxo10(thiophen2yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)propanoicacid
2(268trioxo10(thiophen2yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)propanoicacid
CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CC=CS6
InChI=1SC20H18N2O5S3c16(19(25)26)2217(23)11758(12(11)18(22)24)1410(7)13(9324289)1516(2914)2120(27)3015h24681014H5H21H3(H2127)(H2526)
MFCD05838690
O=c1sc2c((nH)1)SC1C(C2c2cccs2)C2CC1C1C2C(=O)N(C1=O)C(C(=O)O)C
ZINC000249697142
ZINC000249697148
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