Vitas-M small molecule compound
[2,6,8-trioxo-10-(pyridin-3-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]acetic acid
Catalog ID
STK610793
SMILES OC(=O)CN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)[nH]1
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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 C20H17N3O5S2 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S2/c24-10(25)6-23-18(26)13-8-4-9(14(13)19(23)27)15-12(8)11(7-2-1-3-21-5-7)16-17(29-15)22-20(28)30-16/h1-3,5,8-9,11-15H,4,6H2,(H,22,28)(H,24,25)InChIKey
MLQZGIPLWFHGLW-UHFFFAOYSA-NSynonyms
1212350-43-0(268trioxo10(pyridin3yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)aceticacid
1212350430
2((4aR5R5aR8aR9S)268trioxo10(pyridin3yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)aceticacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CC(=O)O)SC5=C(C3C6=CN=CC=C6)SC(=O)N5
InChI=1SC20H17N3O5S2c2410(25)62318(26)13849(14(13)19(23)27)1512(8)11(72132157)1617(2915)2220(28)3016h135891115H46H2(H2228)(H2425)
MFCD05838682
OC(=O)CN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)(nH)1
ZINC000238901755
ZINC000238901758
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