Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3'-(3,4-dihydroxybenzyl)-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
STK573455
SMILES Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)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 C28H22ClN3O7 MW 547.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O7/c29-15-3-4-17-16(10-15)28(27(37)30-17)24-23(18(31-28)7-13-1-5-19(33)20(34)8-13)25(35)32(26(24)36)11-14-2-6-21-22(9-14)39-12-38-21/h1-6,8-10,18,23-24,31,33-34H,7,11-12H2,(H,30,37)/t18?,23-,24+,28?/m1/s1InChIKey
ZNSVCGMGGRDYOL-XKBJPVDJSA-NSynonyms
1014023-88-1(3aR6aS)5(13benzodioxol5ylmethyl)5chloro1((34dihydroxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(13benzodioxol5ylmethyl)5chloro3(34dihydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)5chloro3(34dihydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1014023881
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4C(NC5(C4C3=O)C6=C(C=CC(=C6)Cl)NC5=O)CC7=CC(=C(C=C7)O)O
Clc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC28H22ClN3O7c2915341716(1015)28(27(37)3017)2423(18(3128)7131519(33)20(34)813)25(35)32(26(24)36)1114262122(914)39123821h16810182324313334H71112H2(H3037)t18?2324+28?m1s1
MFCD06779275
ZINC000101337731
ZINC000101337743
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