Vitas-M small molecule compound
4-[(8R,8aS,11aR)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]phenyl acetate
Catalog ID
STK548835
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)c1ccccc1
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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 C28H21N3O5 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5/c1-16(32)36-20-13-11-19(12-14-20)30-27(34)22-23(28(30)35)25(26(33)17-7-3-2-4-8-17)31-24(22)21-10-6-5-9-18(21)15-29-31/h2-15,22-25H,1H3/t22-,23+,24?,25-/m1/s1InChIKey
SGZWVCZVVSHYCX-DVMHTGGUSA-NSynonyms
1014081-78-71014081787
4((8R8aS11aR)8benzoyl911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)phenylacetate
4((8R8aS11aR)911dioxo8(phenylcarbonyl)8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1C2c2ccccc2C=N1)C(=O)c1ccccc1
InChI=1SC28H21N3O5c116(32)3620131119(121420)3027(34)2223(28(30)35)25(26(33)177324817)3124(22)211065918(21)152931h2152225H1H3t2223+24?25m1s1
MFCD18242442
ZINC000013619059
ZINC000013619061
Check stock
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