Vitas-M small molecule compound
methyl 3-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)-4-methoxybenzoate
Catalog ID
STL313932
SMILES COC(=O)c1ccc(c(c1)N1C(=O)C2C(C1=O)C1C(=C(S2)N)C(=O)Oc2c1cccc2)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 C23H18N2O7S MW 466.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O7S/c1-30-14-8-7-10(22(28)31-2)9-12(14)25-20(26)16-15-11-5-3-4-6-13(11)32-23(29)17(15)19(24)33-18(16)21(25)27/h3-9,15-16,18H,24H2,1-2H3InChIKey
KVEPHZKIDCJWCD-UHFFFAOYSA-NSynonyms
1421441-81-71421441817
COC1=C(C=C(C=C1)C(=O)OC)N2C(=O)C3C4C5=CC=CC=C5OC(=O)C4=C(SC3C2=O)N
InChI=1SC23H18N2O7Sc130148710(22(28)312)912(14)2520(26)161511534613(11)3223(29)17(15)19(24)3318(16)21(25)27h39151618H24H212H3
methyl3(5amino136trioxo33a11b11ctetrahydro6Hchromeno(4345)thiopyrano(23c)pyrrol2(1H)yl)4methoxybenzoate
methyl3(5amino136trioxo33adihydro1Hchromeno(4345)thiopyrano(23c)pyrrol2(6H11bH11cH)yl)4methoxybenzoate
MFCD23140224
ZINC000107368311
ZINC000245310983
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