Vitas-M small molecule compound
[(3Z)-3-{5-[4-(acetyloxy)-3-methoxyphenyl]-6-(methoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
Catalog ID
STK798133
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\1/C(=O)N(c3c1cccc3)CC(=O)O)/s2
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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 C28H23N3O9S MW 577.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O9S/c1-13-21(27(37)39-4)23(15-9-10-18(40-14(2)32)19(11-15)38-3)31-26(36)24(41-28(31)29-13)22-16-7-5-6-8-17(16)30(25(22)35)12-20(33)34/h5-11,23H,12H2,1-4H3,(H,33,34)/b24-22-InChIKey
UCMPFKGNQLBOPA-GYHWCHFESA-NSynonyms
((3Z)3(5(4(acetyloxy)3methoxyphenyl)6(methoxycarbonyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)2oxo23dihydro1Hindol1yl)aceticacid
2((3Z)3(5(4acetyloxy3methoxyphenyl)6methoxycarbonyl7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)2oxoindol1yl)aceticacid
CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4N(C3=O)CC(=O)O)SC2=N1)C5=CC(=C(C=C5)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=C1C(=O)N(c3c1cccc3)CC(=O)O)s2
InChI=1SC28H23N3O9Sc11321(27(37)394)23(1591018(4014(2)32)19(1115)383)3126(36)24(4128(31)2913)2216756817(16)30(25(22)35)1220(33)34h51123H12H214H3(H3334)b2422
MFCD03417547
ZINC000002709288
ZINC000002709292
Check stock
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Check stock on Vitas-MAvailable files
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