Vitas-M small molecule compound

3-hydroxy-N-[(6R,9R,12R,15R,18S,23aS)-22-hydroxy-2,3,3,5,9,11-hexamethyl-6-(3-methylbutan-2-yl)-18-(2-methylpropyl)-1,4,7,10,13,16,19-heptaoxo-12-phenylicosahydro-1H,15H-pyrrolo[1,2-g][1,4,7,10,13,16,19]oxahexaazacyclohenicosin-15-yl]pyridine-2-carboxamid

Catalog ID
STL565378
SMILES CC(C[C@@H]1NC(=O)[C@@H](OC(=O)[C@@H](c2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@H](N(C(=O)C(N(C(=O)[C@H]2N(C1=O)CC(C2)O)C)(C)C)C)C(C(C)C)C)NC(=O)c1ncccc1O)C

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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 C44H62N8O11 MW 879.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H62N8O11/c1-23(2)20-29-40(59)52-22-28(53)21-30(52)41(60)51(11)44(7,8)43(62)50(10)33(25(5)24(3)4)36(56)46-26(6)39(58)49(9)34(27-16-13-12-14-17-27)42(61)63-38(37(57)47-29)48-35(55)32-31(54)18-15-19-45-32/h12-19,23-26,28-30,33-34,38,53-54H,20-22H
InChIKey
FPVGOYVYIRGMQO-HQTIITAISA-N
Synonyms

3hydroxyN((6R9R12R15R18S23aS)22hydroxy2335911hexamethyl6(3methylbutan2yl)18(2methylpropyl)14710131619heptaoxo12phenylicosahydro1H15Hpyrrolo(12g)(14710131619)oxahexaazacyclohenicosin15yl)pyridine2carboxamid
3hydroxyN((6R9S12R15R18S23aS)22hydroxy18isobutyl2335911hexamethyl6(3methylbutan2yl)14710131619heptaoxo12phenyldocosahydropyrrolo(12g)(14710131619)oxahexaazacyclohenicosin15yl)picolinamide
CC(C(C@@H)1NC(=O)(C@@H)(OC(=O)(C@@H)(c2ccccc2)N(C)C(=O)(C@@H)(C)NC(=O)(C@H)(N(C(=O)C(N(C(=O)(C@H)2N(C1=O)CC(C2)O)C)(C)C)C)C(C(C)C)C)NC(=O)c1ncccc1O)C
MFCD32651648
ZINC000150356479
ZINC000150356486

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Available files

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