Vitas-M small molecule compound
(3a'S,6a'R)-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3'-(3,4-dihydroxybenzyl)-5-fluoro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STK597457
SMILES Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1ccc(c(c1)O)O)C(=O)N2
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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 C28H22FN3O7 MW 531.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3O7/c29-14-2-4-17-16(11-14)28(27(37)30-17)24-23(18(31-28)9-13-1-5-19(33)20(34)10-13)25(35)32(26(24)36)15-3-6-21-22(12-15)39-8-7-38-21/h1-6,10-12,18,23-24,31,33-34H,7-9H2,(H,30,37)/t18?,23-,24+,28?/m1/s1InChIKey
UELFYBVLWMBTNC-XKBJPVDJSA-NSynonyms
1014020-92-8(3aR6aS)5(23dihydro14benzodioxin6yl)1((34dihydroxyphenyl)methyl)5fluorospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(23dihydro14benzodioxin6yl)3(34dihydroxybenzyl)5fluoro3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(23dihydrobenzo(b)(14)dioxin6yl)3(34dihydroxybenzyl)5fluoro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1014020928
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(NC5(C4C3=O)C6=C(C=CC(=C6)F)NC5=O)CC7=CC(=C(C=C7)O)O
Fc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC28H22FN3O7c2914241716(1114)28(27(37)3017)2423(18(3128)9131519(33)20(34)1013)25(35)32(26(24)36)15362122(1215)39873821h161012182324313334H79H2(H3037)t18?2324+28?m1s1
MFCD06782986
ZINC000101346223
ZINC000101346227
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