Vitas-M small molecule compound

methyl 6'-amino-1-(4-fluorobenzyl)-2-oxo-3'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate

Catalog ID
STK207936
SMILES COC(=O)C1=C(N)Oc2c(C31c1ccccc1N(C3=O)Cc1ccc(cc1)F)c(n[nH]2)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 C28H21FN4O4 MW 496.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN4O4/c1-36-26(34)22-24(30)37-25-21(23(31-32-25)17-7-3-2-4-8-17)28(22)19-9-5-6-10-20(19)33(27(28)35)15-16-11-13-18(29)14-12-16/h2-14H,15,30H2,1H3,(H,31,32)
InChIKey
HZANITHIPWXWPI-UHFFFAOYSA-N
Synonyms
848988-07-8
848988078
COC(=O)C1=C(N)Oc2c(C31c1ccccc1N(C3=O)Cc1ccc(cc1)F)c(n(nH)2)c1ccccc1
COC(=O)C1=C(OC2=NNC(=C2C13C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)F)C6=CC=CC=C6)N
InChI=1SC28H21FN4O4c13626(34)2224(30)372521(23(313225)177324817)28(22)199561020(19)33(27(28)35)1516111318(29)141216h214H1530H21H3(H3132)
METHYL6AMINO1((4FLUOROPHENYL)METHYL)2OXO3PHENYLSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)5CARBOXYLATE
methyl6amino1(4fluorobenzyl)2oxo3phenyl12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carboxylate
methyl6amino1(4fluorobenzyl)2oxo3phenyl1Hspiro(indoline34pyrano(23c)pyrazole)5carboxylate
METHYL6AMINO10((4FLUOROPHENYL)METHYL)11OXO3PHENYLSPIRO(4HPYRANO(32D)PYRAZOLE43INDOLINE)5CARBOXYLATE
MFCD05678672
ZINC000009328596
ZINC000009328597

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.